SCHEMBL4736211

SCHEMBL4736211

COc1ccc(Nc2nccc(-c3cccc(C#N)c3)n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
BRD4 O60885 1/20 0.51
CDK4 P11802 3/20 0.51
CDK2 P24941 3/20 0.51
GSK3B P49841 2/20 0.51
PIK3CG P48736 4/20 0.49
PIK3CA P42336 3/20 0.49
PIK3CB P42338 3/20 0.49
SMG1 Q96Q15 1/20 0.48
SYK P43405 2/20 0.48
KIT P10721 1/20 0.48
PRKCA P17252 2/20 0.47
PRKD3 O94806 1/20 0.47
PRKCG P05129 1/20 0.47
PRKCB P05771 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
SCHEMBL1667472 0.86 MEN1 (0.75) MEN1KMT2ANPC1RAB9ACDK5
SCHEMBL12275201 0.86 MEN1 (0.61) MEN1KMT2ANPC1RAB9ACDK5
SCHEMBL12276265 0.85 PIK3CG (0.69) MEN1KMT2ANPC1RAB9ACDK5
SCHEMBL4736832 0.84 PIK3CG (0.65) MEN1KMT2ANPC1RAB9ACDK5
SCHEMBL12274361 0.84 MEN1 (0.56) MEN1KMT2ANPC1RAB9ACDK5
SCHEMBL4737548 0.84 PLK1 (0.57) MEN1KMT2ANPC1RAB9ACDK5
SCHEMBL13279745 0.82 TBK1 (0.54) MEN1KMT2ACDK4CDK2GSK3B
SCHEMBL12274916 0.81 MEN1 (0.53) MEN1KMT2ANPC1RAB9ACDK5
SCHEMBL12273795 0.81 SYK (0.54) MEN1KMT2ANPC1RAB9ACDK5
SCHEMBL4732923 0.81 CDK5 (0.52) MEN1KMT2ANPC1RAB9ACDK5

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 13 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
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 MEN1 3759/4885KMT2A 1131/4885NPC1 901/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 MEN1 3807/4885KMT2A 2447/4885NPC1 1761/4885

“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.