SCHEMBL2491332

SCHEMBL2491332

Cn1c(NCC2CCN(C(=O)OC(C)(C)C)C2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.55
GPR119 Q8TDV5 2/20 0.49
USP30 Q70CQ3 1/20 0.49
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
IRAK1 P51617 1/20 0.42

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
SCHEMBL12207321 1.00 GSK3B (0.55) GSK3BGPR119USP30CCNT1CDK9
SCHEMBL2490176 0.91 GSK3B (0.56) GSK3B
SCHEMBL2487371 0.87 GSK3B (0.57) GSK3B
SCHEMBL2485429 0.87 GSK3B (0.57) GSK3B
SCHEMBL2488299 0.86 USP30 (0.58) GSK3BGPR119USP30
SCHEMBL2486498 0.83 GSK3B (0.57) GSK3B
SCHEMBL2489770 0.83 USP30 (0.52) GSK3BGPR119USP30
SCHEMBL2488321 0.83 GSK3B (0.61) GSK3B
SCHEMBL13046438 0.82 GSK3B (0.55) GSK3BGPR119USP30
SCHEMBL2491879 0.82 USP30 (0.51) GSK3BGPR119USP30CDK9IRAK1

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 1/4885GPR119 1957/4885USP30 3294/4885

“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.