SCHEMBL4401406

SCHEMBL4401406

O=C(NC1CCCn2c1nc(-c1ccncn1)cc2=O)c1nccc2ncccc12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.37
CYP3A4 P08684 2/20 0.37
CHRNA7 P36544 3/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
CYP2D6 P10635 2/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL4955066 0.97 GSK3B (0.37) GSK3BCYP3A4CHRNA7TNKSTNKS2
SCHEMBL4386384 0.87 CYP2C9 (0.38) GSK3BCHRNA7CASP1
SCHEMBL2066076 0.84 GSK3B (0.47) GSK3BCYP3A4CYP2D6
SCHEMBL4384596 0.84 GSK3B (0.37) GSK3BCYP3A4TNKSTNKS2CYP2D6
SCHEMBL4377805 0.83 ALDH1A1 (0.45) GSK3BCHRNA7
SCHEMBL4380168 0.82 GSK3B (0.38) GSK3BCYP2D6
SCHEMBL4383569 0.81 GSK3B (0.37) GSK3BCYP3A4TNKSTNKS2CYP2D6
SCHEMBL4385660 0.81 RAB9A (0.48) GSK3BCYP2D6
SCHEMBL2065426 0.81 DRD4 (0.42) GSK3B
SCHEMBL2065105 0.80 GSK3B (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP claimed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US disclosed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 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-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES GSK3B, GSK3A, GSKIP GSK3B 1/4885CYP3A4 1284/4885CHRNA7 302/4885

“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.