SCHEMBL2490008

SCHEMBL2490008

Cn1c(NC2CCCN(C(=O)c3ccccc3)C2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.55
KMT2A Q03164 1/20 0.50
RECQL P46063 1/20 0.47
GRM5 P41594 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
CYP2C9 P11712 1/20 0.43
MAP3K12 Q12852 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
SCHEMBL2489071 0.94 GSK3B (0.56) GSK3BGRM5CYP1A2CYP2D6MAP3K12
SCHEMBL2488242 0.93 GSK3B (0.55) GSK3BGRM5CYP2C9
SCHEMBL2488239 0.91 GSK3B (0.60) GSK3BGRM5CYP1A2CYP2D6
SCHEMBL3756199 0.90 GSK3B (0.51) GSK3BKMT2ACYP1A2CYP2D6
SCHEMBL12207256 0.90 GSK3B (0.51) GSK3BKMT2ACYP1A2CYP2D6
SCHEMBL2485942 0.89 GSK3B (0.58) GSK3BGRM5CYP1A2CYP2D6CYP2C9
SCHEMBL2487613 0.88 GSK3B (0.51) GSK3BKMT2ACYP1A2CYP2D6
SCHEMBL2491079 0.87 GSK3B (0.52) GSK3BCYP1A2CYP2D6MAP3K12
SCHEMBL2486151 0.86 GSK3B (0.49) GSK3BKMT2ACYP1A2CYP2D6
SCHEMBL2489723 0.86 GSK3B (0.49) GSK3BKMT2ACYP1A2CYP2D6

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
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US 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 1/4885KMT2A 1710/4885RECQL 1586/4885

“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.