SCHEMBL2859668

SCHEMBL2859668

CC(C)CN(C(=O)Oc1ccc(C#N)cc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
CYP3A4 P08684 1/20 0.37
SCN9A Q15858 7/20 0.36
APP P05067 1/20 0.36
ITK Q08881 1/20 0.36
CACNA1B Q00975 2/20 0.35
CACNA1H O95180 2/20 0.35
EPHX2 P34913 1/20 0.35
CA2 P00918 2/20 0.35

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
SCHEMBL2866713 0.89 EPHX2 (0.34) GSK3BAPPEPHX2CA2
SCHEMBL2863746 0.87 EPHX2 (0.40) EPHX2CA2
SCHEMBL2866853 0.86 MAPT (0.36) CYP3A4EPHX2CA2
SCHEMBL2866011 0.85 DYRK1A (0.39) GSK3BDYRK1ACYP3A4SCN9AAPP
SCHEMBL2861331 0.85 MAPT (0.43) DYRK1ACACNA1BCACNA1HEPHX2CA2
SCHEMBL2859926 0.84 CA2 (0.45) CA2
SCHEMBL2857711 0.83 TMPRSS15 (0.38) GSK3BDYRK1ACYP3A4SCN9AAPP
SCHEMBL2867433 0.83 SCN9A (0.41) GSK3BCYP3A4SCN9AAPPITK
SCHEMBL2866859 0.83 EPHX2 (0.45) DYRK1AEPHX2
SCHEMBL3403339 0.82 SCN9A (0.33) GSK3BSCN9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO claimed

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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 GSK3B 1528/4885DYRK1A 1717/4885CYP3A4 352/4885

“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.