SCHEMBL2065099

SCHEMBL2065099

COc1cccc(C(=O)NC2CCCn3c2nc(-c2ccncn2)cc3=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.47
CYP2D6 P10635 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ROCK2 O75116 2/20 0.44
TSHR P16473 1/20 0.44
FPR2 P25090 1/20 0.41
ROCK1 Q13464 2/20 0.41
CYP2C9 P11712 1/20 0.41
PRKCG P05129 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MAPK1 P28482 1/20 0.41
GSK3A P49840 1/20 0.41
PRKX P51817 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKG1 Q13976 1/20 0.41

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
SCHEMBL2066076 0.88 GSK3B (0.47) GSK3BCYP2D6CYP3A4CYP1A2
SCHEMBL2065496 0.87 GRM5 (0.46) GSK3BGRM5
SCHEMBL2065105 0.87 GSK3B (0.44) GSK3BCYP2D6CYP1A2GRM5
SCHEMBL2066160 0.86 GSK3B (0.45) GSK3BCYP2D6CYP1A2HCRTR1
SCHEMBL2065426 0.86 DRD4 (0.42) GSK3B
SCHEMBL4377805 0.85 ALDH1A1 (0.45) GSK3BALDH1A1TSHRGRM5
SCHEMBL2065359 0.84 GSK3B (0.46) GSK3BCYP2D6CYP1A2MEN1KMT2A
SCHEMBL2064445 0.83 GSK3B (0.41) GSK3BCYP2D6CYP3A4CYP1A2HCRTR1
SCHEMBL2065354 0.83 GSK3B (0.41) GSK3BCYP2D6CYP3A4CYP1A2TSHR
SCHEMBL2065233 0.83 TDP1 (0.46) GSK3BCYP2D6CYP1A2MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148364-B2 Substituted bicyclic pyrimidone derivatives SANOFI-AVENTIS (FR) 2012-04-03 US claimed
EP-1957492-B1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2010-11-10 EP claimed
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-02-05 US claimed
EP-1957492-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES sanofi-aventis (FR) 2008-08-20 EP claimed
EP-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP claimed
WO-2007057790-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-05-24 WO claimed
US-8148364-B2 Substituted bicyclic pyrimidone derivatives SANOFI-AVENTIS (FR) 2012-04-03 US disclosed
EP-1957492-B1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2010-11-10 EP disclosed
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
EP-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP 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 (1 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-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES GSK3B, GSK3A, PSEN1 GSK3B 1/4885CYP2D6 1253/4885CYP3A4 2063/4885

“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.