SCHEMBL2490560

SCHEMBL2490560

Cn1c(N[C@@H]2CCCN(C(=O)OCc3ccncc3)C2)nc(-c2ccncn2)cc1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.51
GFER P55789 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 5/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
GRIN2B Q13224 1/20 0.39
CYP1A2 P05177 2/20 0.39
CSNK1A1 P48729 1/20 0.39
GSK3A P49840 1/20 0.39

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
SCHEMBL2490129 0.92 GSK3B (0.54) GSK3BGFERCYP2D6CYP1A2CSNK1A1
SCHEMBL2487595 0.89 GSK3B (0.64) GSK3BCYP2D6CYP3A4CYP1A2CSNK1A1
SCHEMBL3744211 0.85 GSK3B (0.52) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2488960 0.79 GSK3B (0.49) GSK3BMEN1KMT2A
SCHEMBL2486151 0.79 GSK3B (0.49) GSK3BGFERMEN1KMT2ACYP2D6
SCHEMBL2489723 0.79 GSK3B (0.49) GSK3BGFERMEN1KMT2ACYP2D6
SCHEMBL12207527 0.77 GFER (0.37) GFERMEN1KMT2ACYP2D6CYP2C9
SCHEMBL2488484 0.77 GSK3B (0.51) GSK3BGFERMEN1KMT2ACYP2D6
SCHEMBL2489770 0.76 USP30 (0.52) GSK3BCYP2C9
SCHEMBL3756199 0.75 GSK3B (0.51) GSK3BKMT2ACYP2D6CYP1A2

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
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 1/4885GFER 3900/4885MEN1 3402/4885

“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.