SCHEMBL3274484

SCHEMBL3274484

COc1cc(Cl)ccc1C(=O)NC(C)c1nc(-c2ccncn2)cc(=O)n1C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.41
CYP2D6 P10635 4/20 0.39
CYP1A2 P05177 3/20 0.39
ROCK2 O75116 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL3275123 0.90 GSK3B (0.44) GSK3BCYP2D6CYP1A2ROCK2CYP3A4
SCHEMBL3274773 0.90 GSK3B (0.52) GSK3BCYP2D6CYP1A2ROCK2ROCK1
SCHEMBL3273631 0.87 HTR4 (0.41) GSK3BCYP2D6CYP1A2
SCHEMBL3273980 0.87 GSK3B (0.41) GSK3BCYP2D6CYP1A2ROCK2CYP3A4
SCHEMBL3273383 0.84 GSK3B (0.41) GSK3BCYP2D6CYP1A2ROCK2CYP3A4
SCHEMBL3279423 0.84 GSK3B (0.47) GSK3BCYP2D6CYP1A2ROCK2CYP3A4
SCHEMBL3274904 0.83 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL3273665 0.83 GSK3B (0.39) GSK3BCYP2D6CYP1A2ROCK2CYP3A4
SCHEMBL3145051 0.82 BRD4 (0.44) GSK3BCYP2D6CYP1A2ROCK2CYP3A4
SCHEMBL3274899 0.81 TSHR (0.42) GSK3BCYP2D6ROCK2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592436-B2 Arylamide pyrimidone derivatives SANOFI (FR) 2013-11-26 US claimed
EP-2148866-B1 ARYLAMIDE PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI SA (FR) 2013-07-17 EP claimed
US-20100087460-A1 ARYLAMIDE PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-04-08 US claimed
EP-2148866-A2 ARYLAMIDE PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Sanofi-Aventis (FR) 2010-02-03 EP claimed
WO-2008155669-A2 ARYLAMIDE PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2008-12-24 WO claimed
EP-1992620-A1 Arylamide pyrimidone derivatives for the treatment of neurodegenerative diseases Sanofi-Aventis (FR) 2008-11-19 EP claimed
US-8592436-B2 Arylamide pyrimidone derivatives SANOFI (FR) 2013-11-26 US disclosed
EP-2148866-B1 ARYLAMIDE PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI SA (FR) 2013-07-17 EP disclosed
US-20100087460-A1 ARYLAMIDE PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-04-08 US disclosed
EP-2148866-A2 ARYLAMIDE PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008155669-A2 ARYLAMIDE PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2008-12-24 WO disclosed
EP-1992620-A1 Arylamide pyrimidone derivatives for the treatment of neurodegenerative diseases Sanofi-Aventis (FR) 2008-11-19 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-20100087460-A1 ARYLAMIDE PYRIMIDONE DERIVATIVES DHFR, XDH, HPRT1 GSK3B 3247/4885CYP2D6 64/4885CYP1A2 463/4885

“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.