SCHEMBL3273383

SCHEMBL3273383

COc1ccc(Br)cc1C(=O)NC(C)c1nc(-c2ccncn2)cc(=O)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.41
CYP2D6 P10635 4/20 0.41
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ROCK1 Q13464 2/20 0.38
ROCK2 O75116 1/20 0.38
PRKCG P05129 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MAPK1 P28482 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 0.85 GSK3B (0.44) GSK3BCYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL3274773 0.84 GSK3B (0.52) GSK3BCYP2D6CYP1A2ROCK1ROCK2
SCHEMBL3274484 0.84 GSK3B (0.41) GSK3BCYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL3273631 0.84 HTR4 (0.41) GSK3BCYP2D6CYP1A2
SCHEMBL3279423 0.84 GSK3B (0.47) GSK3BCYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL3274983 0.83 ALDH1A1 (0.43) GSK3BCYP2D6CYP1A2ALDH1A1CYP3A4
SCHEMBL3145051 0.82 BRD4 (0.44) GSK3BCYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL3273980 0.82 GSK3B (0.41) GSK3BCYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL3274977 0.81 TSHR (0.42) GSK3BCYP2D6CYP1A2ALDH1A1CYP3A4
SCHEMBL3274431 0.80 NPSR1 (0.44) GSK3BCYP2D6CYP1A2ALDH1A1CYP3A4

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-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-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.