SCHEMBL4737548

SCHEMBL4737548

COc1ccc(Nc2nccc(-c3cccc(O)c3)n2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.57
PIK3CA P42336 4/20 0.55
PIK3CB P42338 4/20 0.55
PIK3CD O00329 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CDK5 Q00535 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CDK5R1 Q15078 1/20 0.55
FYN P06241 1/20 0.53
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
PIK3CG P48736 4/20 0.52
ABL1 P00519 3/20 0.49
BCR P11274 3/20 0.49
SRC P12931 1/20 0.49
PRKCA P17252 2/20 0.49
PRKD3 O94806 1/20 0.49
PRKCG P05129 1/20 0.49

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
SCHEMBL4736832 0.87 PIK3CG (0.65) PLK1PIK3CAPIK3CBMEN1KMT2A
SCHEMBL4732923 0.86 CDK5 (0.52) PLK1PIK3CAPIK3CBMEN1KMT2A
SCHEMBL4732715 0.85 PIK3CG (0.61) PLK1PIK3CAPIK3CBMEN1KMT2A
SCHEMBL4736211 0.84 MEN1 (0.55) PLK1PIK3CAPIK3CBMEN1KMT2A
SCHEMBL4736537 0.82 CDK5 (0.50) PLK1PIK3CAPIK3CBMEN1KMT2A
SCHEMBL4786087 0.81 PLK1 (0.78) PLK1MEN1KMT2ACDK5NPC1
SCHEMBL4736547 0.81 ABL1 (0.63) PLK1ABL1BCRSRCPRKCA
SCHEMBL4733503 0.81 ZAP70 (0.71) PLK1PIK3CAPIK3CBMEN1KMT2A
SCHEMBL4735908 0.81 PIK3CG (0.69) PLK1PIK3CAPIK3CBMEN1KMT2A
SCHEMBL4737537 0.80 SYK (0.67) PLK1PIK3CGABL1BCRSRC

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 14 patents. 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
WO-2008065155-A1 CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-05 WO claimed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US claimed
JP-2007500179-A 2007-01-11 JP claimed
EP-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP claimed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO claimed
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 US disclosed
WO-2008065155-A1 CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-05 WO 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
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

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

For each of this compound's patents that has machine-readable text (2 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 PLK1 1603/4885PIK3CA 780/4885PIK3CB 1461/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 PLK1 3544/4885PIK3CA 4390/4885PIK3CB 4543/4885

“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.