SCHEMBL657262

SCHEMBL657262

COc1ccc(Nc2nc(NCCN3CCN(Cc4ccccc4)CC3)ncc2F)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 9/20 0.55
NCOR2 Q9Y618 1/20 0.51
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
JAK3 P52333 1/20 0.48
BTK Q06187 1/20 0.48
EGFR P00533 1/20 0.47
ITK Q08881 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KDM1A O60341 2/20 0.46
EHMT2 Q96KQ7 2/20 0.46
RCOR1 Q9UKL0 2/20 0.46
AXL P30530 1/20 0.45
BRD4 O60885 1/20 0.45

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
SCHEMBL27612825 0.88 BCL6 (0.50) BCL6NCOR2ACHEBACE1JAK3
SCHEMBL654292 0.83 SYK (0.57) EGFR
SCHEMBL27631624 0.80 BCL6 (0.49) BCL6NCOR2JAK3BTKEGFR
SCHEMBL656063 0.75 EGFR (0.69) BCL6NCOR2EGFRITK
SCHEMBL655906 0.72 SYK (0.65) JAK3BTKEGFRITKKDM1A
SCHEMBL654194 0.71 BTK (0.68) BCL6BACE1JAK3BTKEGFR
SCHEMBL31592363 0.70 IGF1R (0.75) JAK3BTKEGFRITKEHMT2
SCHEMBL653516 0.70 BCL6 (0.59) BCL6NCOR2EGFRITKALDH1A1
SCHEMBL19700624 0.69 EHMT2 (0.65) BCL6JAK3BTKEGFRITK
SCHEMBL655513 0.69 SYK (0.78) BCL6NCOR2EGFRITK

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 89 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-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-9913842-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2018-03-13 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 BCL6 1575/4885NCOR2 3996/4885ACHE 514/4885
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 BCL6 150/4885NCOR2 4260/4885ACHE 954/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT BCL6 1268/4885NCOR2 4100/4885ACHE 744/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A BCL6 1028/4885NCOR2 4253/4885ACHE 1059/4885
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 BCL6 773/4885NCOR2 4341/4885ACHE 1283/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A BCL6 1028/4885NCOR2 4253/4885ACHE 1059/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A BCL6 1028/4885NCOR2 4253/4885ACHE 1059/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A BCL6 1028/4885NCOR2 4253/4885ACHE 1059/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A BCL6 1028/4885NCOR2 4253/4885ACHE 1059/4885
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 BCL6 134/4885NCOR2 4388/4885ACHE 911/4885
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 BCL6 636/4885NCOR2 3983/4885ACHE 1840/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A BCL6 505/4885NCOR2 3249/4885ACHE 1323/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A BCL6 1028/4885NCOR2 4253/4885ACHE 1059/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A BCL6 1028/4885NCOR2 4253/4885ACHE 1059/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A BCL6 1028/4885NCOR2 4253/4885ACHE 1059/4885

“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.