SCHEMBL4733859

SCHEMBL4733859

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

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.80
PIK3CA P42336 7/20 0.80
PIK3CB P42338 6/20 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
IKBKB O14920 2/20 0.57
CDK4 P11802 1/20 0.57
CDK2 P24941 1/20 0.57
SYK P43405 2/20 0.56
JAK2 O60674 1/20 0.56
FLT3 P36888 1/20 0.56
PLK1 P53350 2/20 0.54
KDR P35968 1/20 0.54
PTK2 Q05397 1/20 0.54
AURKB Q96GD4 1/20 0.54

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
SCHEMBL4785619 0.89 PIK3CG (0.70) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL4736883 0.88 PIK3CG (0.62) PIK3CGPIK3CAPIK3CBCDK5CDK4
SCHEMBL4736185 0.85 PIK3CG (0.80) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL4736128 0.85 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL10977837 0.84 PIK3CG (0.78) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL2944088 0.84 ABL1 (0.64) PIK3CGPIK3CAPIK3CBCDK5IKBKB
SCHEMBL14172014 0.83 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL4737537 0.83 SYK (0.67) PIK3CGCDK4CDK2SYKPLK1
SCHEMBL4732715 0.83 PIK3CG (0.61) PIK3CGPIK3CAPIK3CBCDK5MEN1
SCHEMBL8084736 0.81 JAK2 (0.76) MEN1KMT2AIKBKBSYKJAK2

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 15 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

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.