SCHEMBL4795643

SCHEMBL4795643

COc1ccc(Nc2nccc(-c3cccc(Cn4ccnc4)c3)n2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.54
PRKCD Q05655 3/20 0.54
ABL1 P00519 2/20 0.54
BCR P11274 2/20 0.54
SRC P12931 2/20 0.54
EGFR P00533 1/20 0.54
CYP11B1 P15538 5/20 0.51
CYP11B2 P19099 3/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CDK5 Q00535 1/20 0.46
KMT2A Q03164 1/20 0.46
CDK5R1 Q15078 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL4784893 0.85 CYP19A1 (0.45) PRKCAPRKCDABL1BCRSRC
SCHEMBL4732923 0.83 CDK5 (0.52) PRKCAPRKCDABL1BCRSRC
SCHEMBL4732826 0.83 JAK2 (0.59) ABL1BCRSRCEGFRMEN1
SCHEMBL4736537 0.82 CDK5 (0.50) PRKCAPRKCDABL1BCRSRC
SCHEMBL4785766 0.80 JAK2 (0.46) PRKCAPRKCDABL1BCRMEN1
SCHEMBL4928375 0.80 PIK3CA (0.53) PRKCAPRKCDABL1BCRSRC
SCHEMBL4734234 0.80 CDK5 (0.46) PRKCAPRKCDABL1BCRSRC
SCHEMBL14172772 0.79 ABL1 (0.56) PRKCAPRKCDABL1BCRSRC
SCHEMBL4736832 0.79 PIK3CG (0.65) EGFRMEN1NPC1RAB9ACDK5
SCHEMBL5469276 0.79 CDK5 (0.47) PRKCAPRKCDABL1BCRSRC

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 11 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
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 US disclosed
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 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
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
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 PRKCA 907/4885PRKCD 615/4885ABL1 684/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 PRKCA 2655/4885PRKCD 3890/4885ABL1 1154/4885

“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.