SCHEMBL4907230

SCHEMBL4907230

Nc1cccc(-c2ccnc(Nc3ccc(O)cc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 7/20 1.00
CDK5 Q00535 2/20 0.72
MEN1 O00255 1/20 0.72
NPC1 O15118 1/20 0.72
RAB9A P51151 1/20 0.72
KMT2A Q03164 1/20 0.72
CDK5R1 Q15078 1/20 0.72
CAMK2D Q13557 1/20 0.67
JAK2 O60674 1/20 0.65
ABL1 P00519 2/20 0.62
BCR P11274 2/20 0.62
SRC P12931 2/20 0.62
EGFR P00533 1/20 0.62
PRKACA P17612 1/20 0.62
PRKACG P22612 1/20 0.62
PRKACB P22694 1/20 0.62
SYK P43405 2/20 0.53
MAPK8 P45983 1/20 0.53
MAPK10 P53779 1/20 0.53
CDK4 P11802 2/20 0.53

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
SCHEMBL12801287 0.91 PLK1 (0.82) PLK1CDK5MEN1NPC1RAB9A
SCHEMBL2945644 0.88 PLK1 (0.79) PLK1CDK5MEN1NPC1RAB9A
SCHEMBL4786087 0.88 PLK1 (0.78) PLK1CDK5MEN1NPC1RAB9A
SCHEMBL27444270 0.88 PLK1 (0.78) PLK1CDK5MEN1NPC1RAB9A
SCHEMBL4737495 0.87 PLK1 (0.77) PLK1CDK5MEN1NPC1RAB9A
SCHEMBL27446266 0.87 PLK1 (0.77) PLK1CDK5MEN1NPC1RAB9A
SCHEMBL823915 0.86 CAMK2D (0.82) PLK1CDK5MEN1NPC1RAB9A
SCHEMBL14530851 0.86 PLK1 (0.75) PLK1CDK5MEN1NPC1RAB9A
SCHEMBL25337710 0.85 PLK1 (0.74) PLK1CDK5MEN1NPC1RAB9A
SCHEMBL31119008 0.85 PLK1 (0.74) PLK1CDK5MEN1NPC1RAB9A

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
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
CN-1860104-A 2-aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LTD (GB) 2006-11-08 CN 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
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
CN-1860104-A 2-aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LTD (GB) 2006-11-08 CN 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 1603/4885CDK5 737/4885MEN1 3759/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 PLK1 3544/4885CDK5 2587/4885MEN1 3807/4885

“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.