SCHEMBL2491918

SCHEMBL2491918

Cn1c(N2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)nc(-c2ccncc2)cc1=O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.54
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL14300349 0.84 GSK3B (0.61) GSK3BCYP2D6CYP1A2
SCHEMBL2488521 0.84 GSK3B (0.61) GSK3BCYP2D6CYP1A2
SCHEMBL1652648 0.83 GSK3B (0.58) GSK3BCYP2D6CYP1A2
SCHEMBL13046875 0.82 GSK3B (0.54) GSK3BCYP2D6CYP1A2
SCHEMBL2488485 0.81 GSK3B (0.53) GSK3BCYP2D6CYP1A2
SCHEMBL3752234 0.81 GSK3B (0.53) GSK3BCYP2D6CYP1A2
SCHEMBL14300320 0.81 GSK3B (0.53) GSK3BCYP2D6CYP1A2
SCHEMBL2487803 0.81 GSK3B (0.53) GSK3BCYP2D6CYP1A2
SCHEMBL14300350 0.80 GSK3B (0.53) GSK3BCYP2D6CYP1A2
SCHEMBL8234643 0.80 GSK3B (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057141-B1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2011-10-26 EP disclosed
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US disclosed
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US disclosed
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US 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-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885CYP2D6 516/4885CYP1A2 1200/4885

“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.