SCHEMBL4735847

SCHEMBL4735847

COc1cc(Nc2nccc(-c3cccc(NC(C)=O)c3)n2)cc(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.71
BRAF P15056 2/20 0.64
JAK2 O60674 6/20 0.58
PIK3CG P48736 4/20 0.58
PIK3CA P42336 3/20 0.58
PIK3CB P42338 3/20 0.58
JAK3 P52333 1/20 0.58
SYK P43405 1/20 0.56
ABL1 P00519 2/20 0.56
PDGFRB P09619 2/20 0.56
BCR P11274 2/20 0.56
PDGFRA P16234 2/20 0.56
EGFR P00533 1/20 0.56
PRKCA P17252 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
CDK5 Q00535 1/20 0.55
KMT2A Q03164 1/20 0.55
CDK5R1 Q15078 1/20 0.55

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
SCHEMBL6980016 0.87 PLK1 (0.69) PLK1BRAFJAK2PIK3CGPIK3CA
SCHEMBL4733852 0.86 PLK1 (0.84) PLK1BRAFJAK2PIK3CGPIK3CA
SCHEMBL4380820 0.85 PIK3CG (0.75) PLK1JAK2PIK3CGPIK3CAPIK3CB
SCHEMBL12801261 0.83 CDK5 (0.60) PLK1JAK2PIK3CGPIK3CAPIK3CB
SCHEMBL4736544 0.83 PLK1 (0.76) PLK1JAK2JAK3SYKABL1
SCHEMBL4736493 0.83 PLK1 (0.83) PLK1BRAFJAK2PIK3CGJAK3
SCHEMBL4735155 0.83 PLK1 (1.00) PLK1JAK2PIK3CAJAK3SYK
SCHEMBL12274754 0.83 JAK2 (0.55) PLK1JAK2PIK3CGPIK3CAPIK3CB
SCHEMBL4732715 0.83 PIK3CG (0.61) PLK1JAK2PIK3CGPIK3CAPIK3CB
SCHEMBL14172776 0.81 PLK1 (0.72) PLK1JAK2PIK3CGJAK3SYK

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 16 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
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
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
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 1603/4885BRAF 1082/4885JAK2 263/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 PLK1 3544/4885BRAF 4608/4885JAK2 3086/4885

“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.