SCHEMBL3825469

SCHEMBL3825469

Cn1c(N2CC3CC2CN3C(=O)c2cccc(F)c2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.51
CYP2D6 P10635 5/20 0.45
CYP1A2 P05177 3/20 0.45

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
SCHEMBL4890304 1.00 GSK3B (0.51) GSK3BCYP2D6CYP1A2
SCHEMBL3820274 1.00 GSK3B (0.51) GSK3BCYP2D6CYP1A2
SCHEMBL2407683 0.90 GSK3B (0.51) GSK3BCYP2D6CYP1A2
SCHEMBL2407682 0.90 GSK3B (0.51) GSK3BCYP2D6CYP1A2
SCHEMBL2407677 0.90 GSK3B (0.51) GSK3BCYP2D6CYP1A2
SCHEMBL2407676 0.90 GSK3B (0.51) GSK3BCYP2D6CYP1A2
SCHEMBL1129696 0.89 GSK3B (0.57) GSK3BCYP2D6CYP1A2
SCHEMBL2403507 0.88 GSK3B (0.52) GSK3BCYP2D6CYP1A2
SCHEMBL2403505 0.88 GSK3B (0.52) GSK3BCYP2D6CYP1A2
SCHEMBL3819008 0.86 GSK3B (0.49) GSK3BCYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603910-B1 SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2009-08-26 EP claimed
US-7452897-B2 Use of substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives for the treatment of neurodegenerative diseases SANOFI-AVENTIS (FR) 2008-11-18 US claimed
EP-1454908-B1 Substituted pyridinyl-2-(diaza-bicyclo-alkyl)-pyrimidinone derivatives SANOFI AVENTIS (FR) 2008-02-27 EP claimed
EP-1454908-A1 Substituted pyridinyl-2-(diaza-bicyclo-alkyl)-pyrimidinone derivatives SANOFI-SYNTHELABO (FR) 2004-09-08 EP claimed
US-7452897-B2 Use of substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives for the treatment of neurodegenerative diseases SANOFI-AVENTIS (FR) 2008-11-18 US disclosed
EP-1454908-B1 Substituted pyridinyl-2-(diaza-bicyclo-alkyl)-pyrimidinone derivatives SANOFI AVENTIS (FR) 2008-02-27 EP disclosed
US-20070167455-A1 USE OF SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2007-07-19 US disclosed
EP-1454908-A1 Substituted pyridinyl-2-(diaza-bicyclo-alkyl)-pyrimidinone derivatives SANOFI-SYNTHELABO (FR) 2004-09-08 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-20070167455-A1 USE OF SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PSEN2, PSEN1, GSK3A GSK3B 4/4885CYP2D6 1504/4885CYP1A2 779/4885

“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.