SCHEMBL3277950

SCHEMBL3277950

COc1cccc(C(=O)NCc2nc(-c3ccncn3)cc(=O)n2C)c1OC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.46
CYP2D6 P10635 5/20 0.43
CYP1A2 P05177 3/20 0.43
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
KLKB1 P03952 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL3273287 0.92 POLB (0.52) GSK3BCYP2D6CYP1A2POLBHPGD
SCHEMBL3277436 0.89 GSK3B (0.48) GSK3BCYP2D6CYP1A2
SCHEMBL3273968 0.86 GSK3B (0.52) GSK3BCYP2D6CYP1A2PDE10A
SCHEMBL3159234 0.85 GAA (0.45) GSK3BCYP2D6CYP1A2POLBHPGD
SCHEMBL3275168 0.85 GSK3B (0.47) GSK3BCYP2D6CYP1A2
SCHEMBL3273623 0.85 GSK3B (0.45) GSK3BCYP2D6CYP1A2PDE10A
SCHEMBL3274904 0.84 GSK3B (0.42) GSK3BCYP2D6CYP1A2PDE10A
SCHEMBL3277958 0.84 MAPT (0.47) GSK3BHPGDPDE10A
SCHEMBL3274983 0.84 ALDH1A1 (0.43) GSK3BCYP2D6CYP1A2HPGDPDE10A
SCHEMBL3278164 0.83 HCN1 (0.40) GSK3BCYP2D6CYP1A2POLB

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.