SCHEMBL823915

SCHEMBL823915

Nc1cccc(Nc2nccc(-c3cccc(N)c3)n2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.82
ABL1 P00519 6/20 0.80
BCR P11274 5/20 0.80
SRC P12931 2/20 0.80
EGFR P00533 2/20 0.80
PRKACA P17612 1/20 0.80
PRKACG P22612 1/20 0.80
PRKACB P22694 1/20 0.80
PLK1 P53350 3/20 0.76
CDK5 Q00535 2/20 0.70
MEN1 O00255 1/20 0.70
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
KMT2A Q03164 1/20 0.70
CDK5R1 Q15078 1/20 0.70
JAK2 O60674 1/20 0.63
SYK P43405 1/20 0.62
CDK4 P11802 1/20 0.62
CDK2 P24941 1/20 0.62
PRKCA P17252 2/20 0.56

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
SCHEMBL27444270 0.93 PLK1 (0.78) CAMK2DABL1BCRSRCEGFR
SCHEMBL4386919 0.93 ABL1 (0.82) CAMK2DABL1BCRSRCEGFR
SCHEMBL5471964 0.91 ABL1 (0.71) CAMK2DABL1BCRSRCEGFR
SCHEMBL14530851 0.91 PLK1 (0.75) CAMK2DABL1BCRSRCEGFR
SCHEMBL2945644 0.91 PLK1 (0.79) CAMK2DABL1BCRSRCEGFR
SCHEMBL12801709 0.91 CAMK2D (1.00) CAMK2DABL1BCRSRCEGFR
SCHEMBL12801287 0.90 PLK1 (0.82) CAMK2DABL1BCRSRCEGFR
SCHEMBL2944432 0.90 ABL1 (0.82) CAMK2DABL1BCRSRCEGFR
SCHEMBL1465 0.89 ABL1 (1.00) CAMK2DABL1BCRSRCEGFR
SCHEMBL1789 0.89 ABL1 (1.00) CAMK2DABL1BCRSRCEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 US claimed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US claimed
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
EP-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP disclosed
EP-1562911-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-17 EP disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed
US-20040147507-A1 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-07-29 US disclosed
WO-2004041789-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 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 (4 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-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors GRK3, NCOR1, GRM3 CAMK2D 1264/4885ABL1 684/4885BCR 1561/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD CAMK2D 1819/4885ABL1 252/4885BCR 798/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 CAMK2D 1498/4885ABL1 1154/4885BCR 4679/4885
US-20040147507-A1 Compositions useful as inhibitors of JAK and other protein kinases JAK1, JAK2, JAK3 CAMK2D 442/4885ABL1 6/4885BCR 864/4885

“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.