SCHEMBL173216

SCHEMBL173216

Cc1nc(-c2ccncn2)cc(=O)n1C

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.61
CYP2D6 P10635 3/20 0.48
CYP3A4 P08684 1/20 0.47

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
SCHEMBL9944038 0.83 GSK3B (0.60) GSK3BCYP2D6
SCHEMBL9906429 0.83 GSK3B (0.60) GSK3BCYP2D6
SCHEMBL101767 0.83 GSK3B (0.60) GSK3BCYP2D6
SCHEMBL137966 0.83 GSK3B (0.60) GSK3BCYP2D6
SCHEMBL3139329 0.81 GSK3B (0.57) GSK3BCYP2D6
SCHEMBL12207252 0.81 GSK3B (0.57) GSK3BCYP2D6
SCHEMBL3135002 0.80 GSK3B (0.56) GSK3BCYP2D6
SCHEMBL13046399 0.80 GSK3B (0.56) GSK3BCYP2D6CYP3A4
SCHEMBL3140732 0.80 GSK3B (0.56) GSK3BCYP2D6
SCHEMBL3143026 0.79 GSK3B (0.55) GSK3BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598175-B2 Heteroarylamide pyrimidone derivatives SANOFI (FR) 2013-12-03 US disclosed
US-8592436-B2 Arylamide pyrimidone derivatives SANOFI (FR) 2013-11-26 US disclosed
EP-2162443-B1 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI SA (FR) 2013-07-31 EP disclosed
EP-2148866-B1 ARYLAMIDE PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI SA (FR) 2013-07-17 EP disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
US-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 US disclosed
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 WO disclosed
US-20100087460-A1 ARYLAMIDE PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-04-08 US disclosed
US-20100081677-A1 HETEROARYLAMIDE PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-04-01 US disclosed
EP-1992620-A1 Arylamide pyrimidone derivatives for the treatment of neurodegenerative diseases Sanofi-Aventis (FR) 2008-11-19 EP 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 (4 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 64/4885CYP3A4 394/4885
US-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF HRH4, HNMT, CYP3A4 GSK3B 972/4885CYP2D6 25/4885CYP3A4 3/4885
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES PSEN1, MAPT, PSEN2 GSK3B 78/4885CYP2D6 2595/4885CYP3A4 3616/4885
US-20100081677-A1 HETEROARYLAMIDE PYRIMIDONE DERIVATIVES DHFR, DPYD, HPRT1 GSK3B 2501/4885CYP2D6 80/4885CYP3A4 328/4885

“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.