SCHEMBL4734534

SCHEMBL4734534

COc1ccc(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.68
BCR P11274 3/20 0.68
PRKCA P17252 3/20 0.68
EGFR P00533 1/20 0.67
SRC P12931 1/20 0.67
PLK1 P53350 1/20 0.63
CDK2 P24941 7/20 0.63
CDK4 P11802 6/20 0.63
ABCG2 Q9UNQ0 2/20 0.58
ABCB1 P08183 1/20 0.58
PIK3CA P42336 4/20 0.58
PIK3CG P48736 4/20 0.58
PIK3CB P42338 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CCNT1 O60563 3/20 0.56
CDK9 P50750 3/20 0.56
CDK1 P06493 2/20 0.56
CCNB1 P14635 2/20 0.56
CCNA2 P20248 2/20 0.56

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
SCHEMBL4733655 0.87 PIK3CG (0.76) ABL1BCRPRKCAEGFRSRC
SCHEMBL4903233 0.87 JAK2 (0.65) ABL1BCRPRKCAEGFRSRC
SCHEMBL4736155 0.86 ABL1 (0.71) ABL1BCRPRKCAEGFRSRC
SCHEMBL824007 0.85 ABL1 (0.84) ABL1BCRPRKCAEGFRSRC
SCHEMBL4733401 0.84 ABL1 (0.60) ABL1BCRPRKCAEGFRSRC
SCHEMBL6980985 0.83 PLK1 (0.69) ABL1BCRPRKCAEGFRSRC
SCHEMBL14254209 0.83 PIK3CA (0.57) ABL1BCRPRKCAEGFRSRC
SCHEMBL4903542 0.82 PIK3CG (0.54) ABL1BCRPRKCAPLK1CDK2
SCHEMBL14088787 0.82 JAK2 (0.59) ABL1PRKCAEGFRCDK2PIK3CA
SCHEMBL4738534 0.82 PIK3CA (0.78) ABL1BCRPRKCAEGFRSRC

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US claimed
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
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP 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-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO claimed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO claimed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 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
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP 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-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 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 (3 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 ABL1 684/4885BCR 1561/4885PRKCA 907/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 ABL1 1154/4885BCR 4679/4885PRKCA 2655/4885
US-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP ABL1 2843/4885BCR 2315/4885PRKCA 2607/4885

“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.