SCHEMBL2864054

SCHEMBL2864054

O=C(Nc1ccncc1)N(Cc1ccncc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
EPHX2 P34913 15/20 0.44
GFER P55789 1/20 0.36
NAMPT P43490 1/20 0.36
CYP3A4 P08684 1/20 0.36
WNT3A P56704 1/20 0.36

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
SCHEMBL2863564 0.92 EPHX2 (0.42) MAPTEPHX2NAMPT
SCHEMBL2867706 0.91 EPHX2 (0.42) MAPTEPHX2NAMPT
SCHEMBL2860311 0.91 EPHX2 (0.41) MAPTEPHX2NAMPT
SCHEMBL2859768 0.90 CA1 (0.45) MAPTEPHX2NAMPT
SCHEMBL2869845 0.90 EPHX2 (0.42) MAPTEPHX2
SCHEMBL3409152 0.88 LMNA (0.39) MAPTCYP3A4WNT3A
SCHEMBL2866104 0.87 EPHX2 (0.40) MAPTEPHX2NAMPTCYP3A4WNT3A
SCHEMBL2862795 0.86 HSD17B10 (0.41) MAPTEPHX2
SCHEMBL2861378 0.85 EPHX2 (0.45) MAPTEPHX2
SCHEMBL2860184 0.85 MAPT (0.39) MAPTEPHX2CYP3A4WNT3A

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 MAPT 3030/4885EPHX2 1552/4885GFER 674/4885

“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.