SCHEMBL3277620

SCHEMBL3277620

CC(NC(=O)Nc1ccccc1)c1nc(-c2ccncn2)cc(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
HSD17B10 Q99714 1/20 0.43
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
FPR2 P25090 1/20 0.40
ROCK1 Q13464 3/20 0.39
ROCK2 O75116 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MTOR P42345 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
CYP2C9 P11712 1/20 0.37
NAMPT P43490 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
IMPDH2 P12268 1/20 0.37
FLT3 P36888 1/20 0.37

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
SCHEMBL3274045 0.90 KMT2A (0.41) CYP3A4HSD17B10GSK3BFPR2ROCK1
SCHEMBL3273302 0.85 CYP3A4 (0.46) CYP3A4GSK3BALDH1A1ROCK1ROCK2
SCHEMBL15135677 0.80 GSK3B (0.39) CYP3A4GSK3BROCK1ROCK2CYP2C9
SCHEMBL3273858 0.79 GSK3B (0.45) CYP3A4GSK3BTSHRROCK1ROCK2
SCHEMBL3145226 0.79 ROCK1 (0.42) CYP3A4GSK3BROCK1ROCK2CYP2C9
SCHEMBL3273280 0.79 TSHR (0.56) CYP3A4GSK3BALDH1A1TSHRROCK1
SCHEMBL15104450 0.79 GSK3B (0.40) CYP3A4GSK3BALDH1A1ROCK1ROCK2
SCHEMBL3274514 0.78 PDE2A (0.43) ALDH1A1
SCHEMBL3279268 0.78 GSK3B (0.45) CYP3A4GSK3BALDH1A1ROCK1ROCK2
SCHEMBL3280869 0.77 LMNA (0.43) CYP3A4GSK3BALDH1A1ROCK1ROCK2

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-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 CYP3A4 394/4885HSD17B10 2817/4885GSK3B 3247/4885

“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.