SCHEMBL4738534

SCHEMBL4738534

O=[N+]([O-])c1cccc(Nc2nccc(-c3ccc(Cl)c(Cl)c3)n2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.78
PIK3CB P42338 6/20 0.78
PIK3CG P48736 6/20 0.78
ABL1 P00519 5/20 0.72
BCR P11274 4/20 0.72
PRKCA P17252 4/20 0.72
EGFR P00533 1/20 0.71
SRC P12931 1/20 0.71
PLK1 P53350 1/20 0.67
CDK2 P24941 7/20 0.60
CDK4 P11802 6/20 0.60
CCNT1 O60563 3/20 0.57
CDK9 P50750 3/20 0.57
CDK1 P06493 2/20 0.57
CCNB1 P14635 2/20 0.57
CCNA2 P20248 2/20 0.57
GSK3B P49841 2/20 0.57
CDK7 P50613 2/20 0.57
CCNH P51946 2/20 0.57
AURKA O14965 1/20 0.57

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
SCHEMBL8293192 0.90 ABL1 (0.68) PIK3CAPIK3CBPIK3CGABL1BCR
SCHEMBL824007 0.88 ABL1 (0.84) PIK3CAPIK3CBPIK3CGABL1BCR
SCHEMBL4733637 0.88 ABL1 (0.76) PIK3CAPIK3CBPIK3CGABL1BCR
SCHEMBL1144 0.84 ABL1 (1.00) PIK3CAPIK3CBPIK3CGABL1BCR
SCHEMBL4734622 0.83 ABL1 (0.76) PIK3CAPIK3CBPIK3CGABL1BCR
SCHEMBL4739200 0.83 ABL1 (0.76) PIK3CAPIK3CBPIK3CGABL1BCR
SCHEMBL1977 0.83 ABL1 (1.00) ABL1BCRPRKCAEGFRSRC
SCHEMBL4734534 0.82 ABL1 (0.68) PIK3CAPIK3CBPIK3CGABL1BCR
SCHEMBL4733655 0.81 PIK3CG (0.76) PIK3CAPIK3CBPIK3CGABL1BCR
SCHEMBL4733339 0.81 PLK1 (0.75) PIK3CAPIK3CBPIK3CGABL1BCR

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 11 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-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 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.