SCHEMBL2487381

SCHEMBL2487381

CCN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCN(S(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.47
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2488416 0.97 GSK3B (0.45) GSK3BCYP1A2CYP2D6NPSR1PKM
SCHEMBL2487965 0.95 GSK3B (0.46) GSK3BCYP1A2CYP2D6ALDH1A1
SCHEMBL2489743 0.88 GSK3B (0.44) GSK3BCYP1A2CYP2D6
SCHEMBL2491417 0.88 GSK3B (0.46) GSK3BCYP1A2CYP2D6NPSR1ALDH1A1
SCHEMBL2489052 0.88 GSK3B (0.47) GSK3BCYP1A2CYP2D6ALDH1A1
SCHEMBL2492268 0.87 GSK3B (0.43) GSK3BCYP1A2CYP2D6ALDH1A1
SCHEMBL2491312 0.86 GSK3B (0.49) GSK3BCYP1A2CYP2D6
SCHEMBL2488432 0.85 GSK3B (0.42) GSK3BCYP1A2CYP2D6NPSR1
SCHEMBL12207397 0.85 GSK3B (0.43) GSK3BCYP1A2CYP2D6
SCHEMBL2488292 0.84 GSK3B (0.47) 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 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 1/4885CYP1A2 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.