SCHEMBL655512

SCHEMBL655512

Brc1cnc(Nc2cccc(-c3ccccc3)c2)nc1Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.75
SYK P43405 3/20 0.68
GSK3B P49841 1/20 0.60
CDK19 Q9BWU1 1/20 0.57
ALK Q9UM73 1/20 0.57
CDK1 P06493 5/20 0.56
CDK2 P24941 3/20 0.56
KDR P35968 2/20 0.56
MAPK8 P45983 2/20 0.56
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CCNB1 P14635 1/20 0.53
CCNE1 P24864 1/20 0.53

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
SCHEMBL4459525 0.86 IGF1R (1.00) IGF1RSYKGSK3BCDK19ALK
SCHEMBL3275303 0.83 SYK (0.92) IGF1RSYKGSK3BCDK19ALK
SCHEMBL657529 0.83 SYK (0.75) IGF1RSYKGSK3BCDK1CDK2
SCHEMBL656905 0.81 SYK (1.00) IGF1RSYKGSK3BCDK1CDK2
SCHEMBL5260463 0.80 GSK3B (0.79) IGF1RSYKGSK3BCDK19ALK
SCHEMBL5261726 0.79 IGF1R (0.85) IGF1RSYKGSK3BCDK19ALK
SCHEMBL3276895 0.78 IGF1R (0.82) IGF1RSYKGSK3BCDK19ALK
SCHEMBL3270075 0.78 IGF1R (0.82) IGF1RSYKGSK3BCDK19ALK
SCHEMBL4140858 0.78 CTSC (0.67) IGF1RSYKKDRHDAC3HDAC1
SCHEMBL3270958 0.78 IGF1R (0.76) IGF1RSYKGSK3BCDK19ALK

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 IGF1R 1531/4885SYK 36/4885GSK3B 2244/4885
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 IGF1R 2478/4885SYK 1/4885GSK3B 1272/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT IGF1R 3483/4885SYK 251/4885GSK3B 2486/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A IGF1R 2857/4885SYK 54/4885GSK3B 2088/4885
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 IGF1R 425/4885SYK 4/4885GSK3B 1894/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A IGF1R 2857/4885SYK 54/4885GSK3B 2088/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A IGF1R 2857/4885SYK 54/4885GSK3B 2088/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A IGF1R 2857/4885SYK 54/4885GSK3B 2088/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A IGF1R 2857/4885SYK 54/4885GSK3B 2088/4885
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 IGF1R 2642/4885SYK 1/4885GSK3B 1048/4885
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 IGF1R 2320/4885SYK 42/4885GSK3B 2802/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A IGF1R 1172/4885SYK 83/4885GSK3B 1697/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A IGF1R 2857/4885SYK 54/4885GSK3B 2088/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A IGF1R 2857/4885SYK 54/4885GSK3B 2088/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A IGF1R 2857/4885SYK 54/4885GSK3B 2088/4885

“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.