SCHEMBL2489304

SCHEMBL2489304

Cn1c(N[C@@H]2CC[C@@H](NCc3ccccc3)C2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.58
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CDC7 O00311 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
CDK2 P24941 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
IRAK4 Q9NWZ3 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
SCHEMBL3809072 1.00 GSK3B (0.58) GSK3BCYP1A2CYP2D6CDC7MAP4K4
SCHEMBL2401479 0.80 GSK3B (0.78) GSK3B
SCHEMBL12207253 0.80 GSK3B (0.51) GSK3BCYP1A2CYP2D6
SCHEMBL2485921 0.80 GSK3B (0.57) GSK3BCYP1A2CYP2D6
SCHEMBL2489227 0.79 GSK3B (0.56) GSK3BCYP1A2CYP2D6
SCHEMBL2407214 0.79 GSK3B (0.65) GSK3BCDC7MAP4K4PIM1PRKACA
SCHEMBL697609 0.78 GSK3B (0.57) GSK3BCYP1A2CYP2D6
SCHEMBL696006 0.78 GSK3B (0.57) GSK3BCYP1A2CYP2D6
SCHEMBL699192 0.78 GSK3B (0.57) GSK3BCYP1A2CYP2D6
SCHEMBL2486485 0.78 GSK3B (0.55) 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 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 1/4885CYP1A2 1200/4885CYP2D6 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.