SCHEMBL2491079

SCHEMBL2491079

Cn1c(NC2CCCN(C(=O)Cc3ccccc3)C2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.52
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
MAP3K12 Q12852 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL2490242 0.97 GSK3B (0.51) GSK3BNPC1RAB9ACYP1A2CYP2D6
SCHEMBL2491787 0.95 GSK3B (0.53) GSK3BCYP1A2CYP2D6
SCHEMBL2490107 0.94 GSK3B (0.52) GSK3BCYP1A2CYP2D6
SCHEMBL2488658 0.91 GSK3B (0.57) GSK3BCYP1A2CYP2D6
SCHEMBL2489227 0.90 GSK3B (0.56) GSK3BCYP1A2CYP2D6
SCHEMBL3756199 0.87 GSK3B (0.51) GSK3BCYP1A2CYP2D6
SCHEMBL12207256 0.87 GSK3B (0.51) GSK3BCYP1A2CYP2D6
SCHEMBL2490008 0.87 GSK3B (0.55) GSK3BMAP3K12CYP1A2CYP2D6
SCHEMBL2487613 0.85 GSK3B (0.51) GSK3BCYP1A2CYP2D6
SCHEMBL2486151 0.84 GSK3B (0.49) GSK3BGFERCYP1A2CYP2D6

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 5 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
WO-2008023239-A1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-28 WO 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 1/4885NPC1 1880/4885RAB9A 3914/4885

“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.