SCHEMBL3145226

SCHEMBL3145226

CC(NC(=O)c1cccnc1)c1nc(-c2ccncn2)cc(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.42
GSK3B P49841 2/20 0.42
ROCK2 O75116 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PRKCG P05129 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MAPK1 P28482 1/20 0.42
GSK3A P49840 1/20 0.42
PRKX P51817 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKG1 Q13976 1/20 0.42
PKN2 Q16513 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SGK2 Q9HBY8 1/20 0.42
LMNA P02545 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39

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
SCHEMBL3273302 0.91 CYP3A4 (0.46) ROCK1GSK3BROCK2CYP3A4CYP2D6
SCHEMBL3280869 0.86 LMNA (0.43) ROCK1GSK3BROCK2CYP3A4CYP2D6
SCHEMBL3279268 0.85 GSK3B (0.45) ROCK1GSK3BROCK2CYP3A4CYP2D6
SCHEMBL3153625 0.82 CYP3A4 (0.39) ROCK1GSK3BROCK2CYP3A4CYP2D6
SCHEMBL3148947 0.81 PDE2A (0.39) ROCK1GSK3BROCK2CYP3A4CYP2D6
SCHEMBL3144849 0.81 ROCK1 (0.42) ROCK1GSK3BROCK2CYP3A4CYP2D6
SCHEMBL3273858 0.80 GSK3B (0.45) ROCK1GSK3BROCK2CYP3A4CYP2D6
SCHEMBL3273280 0.80 TSHR (0.56) ROCK1GSK3BROCK2CYP3A4CYP2D6
SCHEMBL3274514 0.79 PDE2A (0.43) PDE2AKMT2A
SCHEMBL3277620 0.79 CYP3A4 (0.47) ROCK1GSK3BROCK2CYP3A4CYP2C9

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-8598175-B2 Heteroarylamide pyrimidone derivatives SANOFI (FR) 2013-12-03 US claimed
EP-2162443-B1 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI SA (FR) 2013-07-31 EP claimed
US-20100081677-A1 HETEROARYLAMIDE PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-04-01 US claimed
EP-1992621-A1 Heteroarylamide-substituted pyrimidone derivatives for the treatment of neurodegenerative diseases Sanofi-Aventis (FR) 2008-11-19 EP claimed
US-8598175-B2 Heteroarylamide pyrimidone derivatives SANOFI (FR) 2013-12-03 US disclosed
EP-2162443-B1 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI SA (FR) 2013-07-31 EP disclosed
US-20100081677-A1 HETEROARYLAMIDE PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-04-01 US disclosed
EP-2162443-A2 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Sanofi-Aventis (FR) 2010-03-17 EP disclosed
WO-2008155666-A2 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2008-12-24 WO disclosed
EP-1992621-A1 Heteroarylamide-substituted 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-20100081677-A1 HETEROARYLAMIDE PYRIMIDONE DERIVATIVES DHFR, DPYD, HPRT1 ROCK1 2047/4885GSK3B 2501/4885ROCK2 3366/4885

“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.