SCHEMBL4735987

SCHEMBL4735987

Oc1ccc(Nc2nccc(-c3ccc(Cl)c(Cl)c3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.68
PIK3CB P42338 5/20 0.68
PIK3CG P48736 5/20 0.68
PLK1 P53350 6/20 0.63
ALOX5 P09917 1/20 0.57
VCP P55072 1/20 0.57
SYK P43405 1/20 0.54
CLK1 P49759 2/20 0.53
DYRK1A Q13627 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53
DYRK1B Q9Y463 2/20 0.53
AURKA O14965 2/20 0.52
KMO O15229 2/20 0.51
CDK4 P11802 2/20 0.50
CDK2 P24941 2/20 0.50
IKBKB O14920 1/20 0.49
CLK2 P49760 1/20 0.48

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
SCHEMBL4734608 0.86 PIK3CG (0.69) PIK3CAPIK3CBPIK3CGPLK1SYK
SCHEMBL27643199 0.85 PIK3CA (0.74) PIK3CAPIK3CBPIK3CGPLK1ALOX5
SCHEMBL14020973 0.84 MAPK8 (0.68) PIK3CAPIK3CBPIK3CGPLK1AURKA
SCHEMBL4784122 0.83 PIK3CA (0.64) PIK3CAPIK3CBPIK3CGPLK1CLK1
SCHEMBL4735460 0.83 PLK1 (0.82) PIK3CAPIK3CBPIK3CGPLK1VCP
SCHEMBL4786087 0.81 PLK1 (0.78) PLK1VCPSYKAURKACDK4
SCHEMBL7470875 0.79 PLK1 (0.63) PIK3CAPIK3CBPIK3CGPLK1VCP
SCHEMBL4737479 0.78 PLK1 (0.61) PIK3CAPIK3CBPIK3CGPLK1SYK
SCHEMBL4735908 0.78 PIK3CG (0.69) PIK3CAPIK3CBPIK3CGPLK1CLK1
SCHEMBL4737520 0.77 PLK1 (0.73) PIK3CAPIK3CGPLK1SYKAURKA

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 13 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
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 PIK3CA 780/4885PIK3CB 1461/4885PIK3CG 1548/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 PIK3CA 4390/4885PIK3CB 4543/4885PIK3CG 4311/4885

“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.