SCHEMBL4735604

SCHEMBL4735604

O=[N+]([O-])c1ccc(Nc2nccc(-c3cccc([N+](=O)[O-])c3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 1.00
PIK3CA P42336 5/20 0.71
PIK3CB P42338 5/20 0.71
PIK3CG P48736 5/20 0.71
ABL1 P00519 4/20 0.71
BCR P11274 3/20 0.71
PRKCA P17252 3/20 0.71
EGFR P00533 2/20 0.71
SRC P12931 1/20 0.71
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
CDK4 P11802 4/20 0.59
GSK3B P49841 3/20 0.59
PIM1 P11309 1/20 0.59
CCND3 P30281 1/20 0.59
MTOR P42345 1/20 0.59
CDK2 P24941 5/20 0.57
ERBB2 P04626 1/20 0.56
IKBKB O14920 1/20 0.54
CHUK O15111 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
SCHEMBL4733651 0.92 PLK1 (0.84) PLK1PIK3CAPIK3CBPIK3CGABL1
SCHEMBL4736553 0.92 PLK1 (0.84) PLK1PIK3CAPIK3CBPIK3CGABL1
SCHEMBL824007 0.91 ABL1 (0.84) PLK1PIK3CAPIK3CBPIK3CGABL1
SCHEMBL4734426 0.89 PLK1 (0.80) PLK1PIK3CAPIK3CBPIK3CGABL1
SCHEMBL25337072 0.89 PLK1 (0.79) PLK1PIK3CAPIK3CBPIK3CGABL1
SCHEMBL31119109 0.89 PLK1 (0.79) PLK1PIK3CAPIK3CBPIK3CGABL1
SCHEMBL4733185 0.89 PLK1 (0.79) PLK1PIK3CAPIK3CBPIK3CGABL1
SCHEMBL3864320 0.86 ABL1 (0.76) PLK1PIK3CAPIK3CBPIK3CGABL1
SCHEMBL4733339 0.86 PLK1 (0.75) PLK1PIK3CAPIK3CBPIK3CGABL1
SCHEMBL4735511 0.86 PLK1 (0.75) PLK1PIK3CAPIK3CBPIK3CGABL1

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 12 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
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 PLK1 1603/4885PIK3CA 780/4885PIK3CB 1461/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 PLK1 3544/4885PIK3CA 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.