SCHEMBL4737544

SCHEMBL4737544

Cc1ccc(C)c(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.65
CDK4 P11802 8/20 0.65
ABL1 P00519 5/20 0.64
BCR P11274 4/20 0.64
PRKCA P17252 3/20 0.64
EGFR P00533 1/20 0.63
SRC P12931 1/20 0.63
GSK3B P49841 3/20 0.63
SLC2A1 P11166 1/20 0.63
CCNT1 O60563 4/20 0.61
CDK9 P50750 4/20 0.61
CDK1 P06493 3/20 0.61
CCNB1 P14635 3/20 0.61
CCNA2 P20248 2/20 0.61
CDK7 P50613 2/20 0.61
CCNH P51946 2/20 0.61
CCNB2 O95067 2/20 0.61
CCNB3 Q8WWL7 2/20 0.61
AURKA O14965 1/20 0.61
CCNE2 O96020 1/20 0.61

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 0.81 ABL1 (0.68) CDK2CDK4ABL1BCRPRKCA
SCHEMBL4734407 0.81 CDK2 (0.60) CDK2CDK4ABL1BCRSRC
SCHEMBL4734466 0.81 CDK2 (0.60) CDK2CDK4ABL1BCRSRC
SCHEMBL824007 0.80 ABL1 (0.84) CDK2CDK4ABL1BCRPRKCA
SCHEMBL3605654 0.79 ABL1 (0.65) CDK2CDK4ABL1BCRPRKCA
SCHEMBL5206934 0.79 CDK2 (1.00) CDK2CDK4ABL1BCRPRKCA
SCHEMBL1886 0.78 ABL1 (1.00) CDK2CDK4ABL1BCRPRKCA
SCHEMBL1144 0.78 ABL1 (1.00) CDK2CDK4ABL1BCRPRKCA
SCHEMBL4786097 0.78 ABL1 (0.64) CDK2CDK4ABL1BCRPRKCA
SCHEMBL4386032 0.78 CDK2 (0.72) CDK2CDK4ABL1BCRPRKCA

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 14 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
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 CDK2 342/4885CDK4 642/4885ABL1 684/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 CDK2 4427/4885CDK4 4152/4885ABL1 1154/4885

“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.