SCHEMBL4734407

SCHEMBL4734407

Cc1ccc(C)c(-c2ccnc(Nc3cccc(O)c3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.60
CDK4 P11802 3/20 0.60
SYK P43405 5/20 0.56
PLK1 P53350 2/20 0.56
KDR P35968 1/20 0.56
PTK2 Q05397 1/20 0.56
AURKB Q96GD4 1/20 0.56
PIK3CA P42336 2/20 0.55
PIK3CG P48736 2/20 0.55
PIK3CB P42338 1/20 0.55
SRC P12931 1/20 0.54
ZAP70 P43403 1/20 0.54
CDK1 P06493 3/20 0.53
CCNB1 P14635 2/20 0.53
CCNB2 O95067 1/20 0.53
RET P07949 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52
DYRK1A Q13627 1/20 0.52

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
SCHEMBL4734466 0.85 CDK2 (0.60) CDK2CDK4SYKPIK3CAPIK3CG
SCHEMBL4737544 0.81 CDK2 (0.65) CDK2CDK4PLK1AURKBPIK3CA
SCHEMBL4737537 0.78 SYK (0.67) CDK2CDK4SYKPLK1KDR
SCHEMBL13924475 0.77 SYK (0.74) CDK2SYKPIK3CAPIK3CGPIK3CB
SCHEMBL5203965 0.76 CDK2 (0.69) CDK2CDK4SYKPLK1KDR
SCHEMBL6189220 0.76 CDK2 (0.54) CDK2CDK4SYKPLK1KDR
SCHEMBL27612399 0.76 PIK3CA (0.74) CDK2CDK4SYKPLK1KDR
SCHEMBL13887220 0.76 PLK1 (0.65) CDK2CDK4SYKPLK1KDR
SCHEMBL4735391 0.76 SYK (0.56) CDK2CDK4SYKPLK1KDR
SCHEMBL29644961 0.75 CDK2 (1.00) CDK2CDK4PLK1AURKBCDK1

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 16 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
CN-1860104-A 2-aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LTD (GB) 2006-11-08 CN 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
CN-1860104-A 2-aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LTD (GB) 2006-11-08 CN 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 CDK2 342/4885CDK4 642/4885SYK 1865/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 CDK2 4427/4885CDK4 4152/4885SYK 1957/4885

“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.