SCHEMBL4577374

SCHEMBL4577374

CCC1Cn2c(nc(-c3ccncn3)cc2=O)N1CC(=O)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.46
CYP2D6 P10635 5/20 0.40
CYP1A2 P05177 2/20 0.38

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
SCHEMBL3572850 0.82 GSK3B (0.49) GSK3BCYP2D6CYP1A2
SCHEMBL3566809 0.79 GSK3B (0.41) GSK3BCYP2D6CYP1A2
SCHEMBL3629437 0.79 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL3569015 0.78 GSK3B (0.40) GSK3BCYP2D6CYP1A2
SCHEMBL3574900 0.78 GSK3B (0.41) GSK3BCYP2D6CYP1A2
SCHEMBL3564745 0.75 GSK3B (0.54) GSK3BCYP2D6CYP1A2
SCHEMBL3570867 0.72 GSK3B (0.39) GSK3BCYP2D6
SCHEMBL3568860 0.72 GSK3B (0.51) GSK3BCYP2D6CYP1A2
SCHEMBL3572370 0.72 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL13721924 0.72 GSK3B (0.61) GSK3B

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-20080269257-A1 Use of Substituted 2-Pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-A] Pyrimidin-4-one and 7-Pyrimidinyl-2,3-dihydroimidazo[1,2-A] Pyrimidin-5(1H)one Derivatives SANOFI-AVENTIS (FR) 2008-10-30 US claimed

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-20080269257-A1 Use of Substituted 2-Pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-A] Pyrimidin-4-one and 7-Pyrimidinyl-2,3-dihydroimidazo[1,2-A] Pyrimidin-5(1H)one Derivatives CDK5, PSEN2, PSEN1 GSK3B 6/4885CYP2D6 3940/4885CYP1A2 3340/4885

“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.