SCHEMBL2486485

SCHEMBL2486485

Cn1c(NC2CCCN(Cc3ccccc3)CC2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.55
ROCK2 O75116 3/20 0.51
ACHE P22303 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ROCK1 Q13464 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 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
SCHEMBL2485921 0.91 GSK3B (0.57) GSK3BROCK2
SCHEMBL2489535 0.90 GSK3B (0.54) GSK3B
SCHEMBL2488404 0.85 GSK3B (0.52) GSK3BTSHRHSD17B10
SCHEMBL2490107 0.85 GSK3B (0.52) GSK3B
SCHEMBL2488656 0.83 GSK3B (0.55) GSK3BROCK2ROCK1MAPK1
SCHEMBL2407214 0.83 GSK3B (0.65) GSK3BROCK2ROCK1MAPK1
SCHEMBL2489227 0.82 GSK3B (0.56) GSK3B
SCHEMBL2401430 0.82 GSK3B (0.67) GSK3BROCK2ROCK1MAPK1
SCHEMBL2491662 0.81 GSK3B (0.60) GSK3B
SCHEMBL2488242 0.81 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 6 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
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 1/4885ROCK2 824/4885ACHE 3366/4885

“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.