SCHEMBL657460

SCHEMBL657460

Oc1ccc(CCNc2ccnc(NCCc3ccc(O)cc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX1 Q96LB2 1/20 0.57
▸ HTR7 P34969 4/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ AURKA O14965 1/20 0.47
▸ MYLK Q15746 1/20 0.46
▸ ULK1 O75385 1/20 0.45
▸ STAT6 P42226 3/20 0.44
▸ DNM2 P50570 2/20 0.44
▸ ACHE P22303 1/20 0.44
▸ TMEM97 Q5BJF2 2/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ HRH4 Q9H3N8 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HRH2 P25021 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1468099 0.86 ALDH1A1 (0.51) MRGPRX1HTR7ALDH1A1SMN1; SMN2MYLK
SCHEMBL1467168 0.81 ALDH1A1 (0.47) MRGPRX1HTR7ALDH1A1SMN1; SMN2MYLK
SCHEMBL16450076 0.78 HTR7 (0.51) MRGPRX1HTR7DNM2
SCHEMBL27514125 0.77 ULK1 (0.41) MRGPRX1HTR7ALDH1A1SMN1; SMN2ULK1
SCHEMBL8520424 0.76 HTT (0.65) ALDH1A1SMN1; SMN2AURKATMEM97SIGMAR1
SCHEMBL8170461 0.74 CYP1A2 (0.60) ALDH1A1SMN1; SMN2TMEM97SIGMAR1RAB9A
SCHEMBL31240429 0.74 HTT (0.54) HTR7ALDH1A1SMN1; SMN2TMEM97SIGMAR1
SCHEMBL6016680 0.74 SYK (0.62) HTR7AURKARAB9A
SCHEMBL11183194 0.74 ULK1 (0.50) ALDH1A1SMN1; SMN2ULK1STAT6TMEM97
SCHEMBL24798351 0.74 HTR7 (0.56) MRGPRX1HTR7DNM2HTR2CHTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2130541-A2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds Rigel Pharmaceuticals, Inc. (US) 2009-12-09 — — EP claimed
US-20080039622-A1 Inhibiting the immunoglobulin (Ig) IgE and/or IgG receptor using R940343, N4-[(2,2-Difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; treating allergic and inflammatory diseases; syk kinase inhibitors RIGEL PHARMACEUTICALS, INC. 2008-02-14 — — US claimed
US-20060058292-A1 N4-[2,2-difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; inhibit the immunoglobulins IgE or IgG receptor signaling cascades in mast, basophil cells; antiallergen, antiinflammatory agent; asthma, osteoarthritis MIDCAP FINANCIAL TRUST 2006-03-16 — — US claimed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 — — US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 — — US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 — — US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 — — US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 — — US disclosed
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 — — US disclosed
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 — — US disclosed
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-06-11 — — US disclosed
US-20060058292-A1 N4-[2,2-difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; inhibit the immunoglobulins IgE or IgG receptor signaling cascades in mast, basophil cells; antiallergen, antiinflammatory agent; asthma, osteoarthritis MIDCAP FINANCIAL TRUST 2006-03-16 — — US disclosed
US-20060035916-A1 N2,N4-bis(3-hydroxyphenyl)-5-fluoro-2,4-pyrimidinediamine or a salt, hydrate, solvate and/or N-oxide; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors MIDCAP FINANCIAL TRUST 2006-02-16 — — US disclosed
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 — — EP disclosed
US-20060025410-A1 N4-(1,4-Benzoxazin-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine or a salt, hydrate, solvate and/or N-oxide; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors MIDCAP FINANCIAL TRUST 2006-02-02 — — US disclosed
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades MIDCAP FINANCIAL TRUST 2005-09-22 — — US disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 — — US disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 — — EP disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 — — US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060058292-A1 N4-[2,2-difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; inhibit the immunoglobulins IgE or IgG receptor signaling cascades in mast, basophil cells; antiallergen, antiinflammatory agent; asthma, osteoarthritis FCER2, FCGR1A, HRH4 MRGPRX1 48/4885HTR7 830/4885ALDH1A1 1623/4885
US-20060035916-A1 N2,N4-bis(3-hydroxyphenyl)-5-fluoro-2,4-pyrimidinediamine or a salt, hydrate, solvate and/or N-oxide; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors SYK, FCER2, FCGR1A MRGPRX1 86/4885HTR7 465/4885ALDH1A1 4531/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT MRGPRX1 8/4885HTR7 768/4885ALDH1A1 2723/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A MRGPRX1 39/4885HTR7 500/4885ALDH1A1 2891/4885
US-20080039622-A1 Inhibiting the immunoglobulin (Ig) IgE and/or IgG receptor using R940343, N4-[(2,2-Difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; treating allergic and inflammatory diseases; syk kinase inhibitors FCER2, FCGR1A, FCGR2A MRGPRX1 66/4885HTR7 598/4885ALDH1A1 3139/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MRGPRX1 39/4885HTR7 500/4885ALDH1A1 2891/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MRGPRX1 39/4885HTR7 500/4885ALDH1A1 2891/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MRGPRX1 39/4885HTR7 500/4885ALDH1A1 2891/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MRGPRX1 39/4885HTR7 500/4885ALDH1A1 2891/4885
US-20060025410-A1 N4-(1,4-Benzoxazin-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine or a salt, hydrate, solvate and/or N-oxide; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors SYK, FCER2, FCGR1A MRGPRX1 22/4885HTR7 532/4885ALDH1A1 4253/4885
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades FCER2, FCGR1A, FCGR2A MRGPRX1 39/4885HTR7 375/4885ALDH1A1 2615/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A MRGPRX1 16/4885HTR7 750/4885ALDH1A1 2302/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MRGPRX1 39/4885HTR7 500/4885ALDH1A1 2891/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A MRGPRX1 39/4885HTR7 500/4885ALDH1A1 2891/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MRGPRX1 39/4885HTR7 500/4885ALDH1A1 2891/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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