SCHEMBL3754542

SCHEMBL3754542

CN(c1nc(-c2ccncn2)cc(=O)n1C)[C@@H]1CCCN(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.49
CYP2D6 P10635 2/20 0.44

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
SCHEMBL2485862 0.91 GSK3B (0.60) GSK3BCYP2D6
SCHEMBL2486490 0.91 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL2491255 0.89 GSK3B (0.51) GSK3BCYP2D6
SCHEMBL2487402 0.89 GSK3B (0.51) GSK3BCYP2D6
SCHEMBL3749271 0.88 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL2491257 0.79 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL3744211 0.79 GSK3B (0.52) GSK3BCYP2D6
SCHEMBL2491912 0.76 GSK3B (0.40) GSK3B
SCHEMBL2527052 0.74 MAP4K4 (0.41) GSK3BCYP2D6
SCHEMBL3737510 0.74 GSK3B (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 516/4885

“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.