SCHEMBL4737587

SCHEMBL4737587

COc1ccc(OC)c(-c2ccnc(Nc3ccc(OC)nc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.53
CDK2 P24941 6/20 0.53
PIK3CG P48736 5/20 0.52
PIK3CA P42336 4/20 0.52
PIK3CB P42338 4/20 0.52
CDK4 P11802 3/20 0.48
DYRK1A Q13627 1/20 0.48
CDK9 P50750 4/20 0.47
CLK4 Q9HAZ1 2/20 0.47
CDK5 Q00535 2/20 0.47
ACVR1 Q04771 2/20 0.47
AURKA O14965 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL4737275 0.84 PIK3CA (0.52) GSK3BCDK2PIK3CGPIK3CAPIK3CB
SCHEMBL4738430 0.82 PIK3CG (0.69) GSK3BCDK2PIK3CGPIK3CAPIK3CB
SCHEMBL4736832 0.81 PIK3CG (0.65) GSK3BCDK2PIK3CGPIK3CAPIK3CB
SCHEMBL13279745 0.76 TBK1 (0.54) GSK3BCDK2PIK3CGPIK3CAPIK3CB
SCHEMBL4733401 0.75 ABL1 (0.60) GSK3BCDK2PIK3CGPIK3CAPIK3CB
SCHEMBL4735908 0.74 PIK3CG (0.69) CDK2PIK3CGPIK3CAPIK3CBDYRK1A
SCHEMBL1032946 0.73 PIK3CA (0.60) GSK3BCDK2PIK3CGPIK3CAPIK3CB
SCHEMBL12801339 0.73 CDK2 (0.59) GSK3BCDK2PIK3CGPIK3CAPIK3CB
SCHEMBL4386288 0.73 SYK (0.70) CDK2SYK
SCHEMBL4734845 0.73 CDK9 (0.63) GSK3BCDK2PIK3CGPIK3CAPIK3CB

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 GSK3B 2240/4885CDK2 342/4885PIK3CG 1548/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 GSK3B 2287/4885CDK2 4427/4885PIK3CG 4311/4885

“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.