SCHEMBL4736185

SCHEMBL4736185

COc1ccc(-c2ccnc(Nc3cccc(F)c3)n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.80
PIK3CA P42336 8/20 0.80
PIK3CB P42338 7/20 0.80
CDK5 Q00535 2/20 0.74
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
CDK5R1 Q15078 1/20 0.61
SYK P43405 1/20 0.58
CDC7 O00311 1/20 0.57
CDK19 Q9BWU1 1/20 0.57
IKBKB O14920 2/20 0.57
CDK4 P11802 1/20 0.57
CDK2 P24941 1/20 0.57
ABL1 P00519 1/20 0.54
BCR P11274 1/20 0.54
EGFR P00533 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
SCHEMBL4735972 0.89 PIK3CG (0.78) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL27116069 0.86 PIK3CG (0.67) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL27115671 0.86 PIK3CG (0.63) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL27116179 0.86 PIK3CG (0.66) PIK3CGPIK3CAPIK3CBCDK5CDC7
SCHEMBL4733859 0.85 PIK3CG (0.80) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL27115897 0.85 PIK3CG (0.69) PIK3CGPIK3CAPIK3CBCDK5SYK
SCHEMBL10977837 0.84 PIK3CG (0.78) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL27116528 0.84 PIK3CG (0.64) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL27115951 0.84 PIK3CG (0.62) PIK3CGPIK3CAPIK3CBCDK5SYK
SCHEMBL14172014 0.83 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBCDK5MEN1

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
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
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 US disclosed
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 PIK3CG 1548/4885PIK3CA 780/4885PIK3CB 1461/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 PIK3CG 4311/4885PIK3CA 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.