SCHEMBL2491949

SCHEMBL2491949

Cn1c(NC2CCCCN(S(=O)(=O)c3ccccc3)C2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CDC7 O00311 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
CSF1R P07333 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
MARK3 P27448 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2489777 0.97 GSK3B (0.47) GSK3BCYP1A2CYP2D6MEN1USP2
SCHEMBL2487958 0.94 GSK3B (0.48) GSK3BCYP1A2CYP2D6
SCHEMBL2491305 0.90 GSK3B (0.47) GSK3BCYP1A2CYP2D6CDK2
SCHEMBL2488413 0.90 GSK3B (0.52) GSK3BCYP1A2CYP2D6
SCHEMBL2486253 0.88 GSK3B (0.50) GSK3BCYP1A2CYP2D6CDK2
SCHEMBL2488076 0.83 GSK3B (0.54) GSK3BCYP1A2CYP2D6
SCHEMBL2486497 0.82 GSK3B (0.51) GSK3BCYP1A2CYP2D6
SCHEMBL2486501 0.82 GSK3B (0.51) GSK3BCYP1A2CYP2D6
SCHEMBL14300185 0.82 GSK3B (0.51) GSK3BCYP1A2CYP2D6
SCHEMBL2486499 0.82 GSK3B (0.51) GSK3BCYP1A2CYP2D6

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 1/4885CYP1A2 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.