SCHEMBL1376385

SCHEMBL1376385

CC(C)N(C(=O)C(C#N)=Cc1ccncc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
APP P05067 3/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
NEK2 P51955 1/20 0.35
PLK1 P53350 1/20 0.35
ALDH1A1 P00352 3/20 0.33
SNCA P37840 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL1376383 1.00 KDM4E (0.40) KDM4EAPPKMT2AMAPTMEN1
SCHEMBL1379586 0.91 APP (0.41) KDM4EAPPKMT2AMAPTMEN1
SCHEMBL1379587 0.91 APP (0.41) KDM4EAPPKMT2AMAPTMEN1
SCHEMBL1375568 0.90 APP (0.40) KDM4EAPPKMT2AMAPTMEN1
SCHEMBL1376393 0.90 APP (0.42) KDM4EAPPKMT2AMAPTMEN1
SCHEMBL1379599 0.90 APP (0.40) APPKMT2AMAPTMEN1ALDH1A1
SCHEMBL1375570 0.90 APP (0.40) KDM4EAPPKMT2AMAPTMEN1
SCHEMBL1379601 0.90 APP (0.40) APPKMT2AMAPTMEN1ALDH1A1
SCHEMBL1376394 0.90 APP (0.42) KDM4EAPPKMT2AMAPTMEN1
SCHEMBL1379523 0.89 APP (0.38) KDM4EAPPKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4727579-B2 2011-07-20 JP claimed
US-7897615-B2 e.g. 2-Cyano-3-hydroxy-N-isopropyl-N-(2-mercapto-benzothiazol-6-yl)-3-(4-trifluoromethyl-phenyl)-acrylamide; cardiovascular disorders, antidiabetic, anticarcinogenic, antiischemic agent; obesity, metabolic disorders CHUGAI SCIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US claimed
US-20080161358-A1 Cyanoamide Compounds Useful as Malonyl-COA Decarboxylase Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA 2008-07-03 US claimed
US-7285562-B2 Cyanoamide compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-23 US claimed
EP-1648564-B1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-10-17 EP claimed
JP-2007501233-A 2007-01-25 JP claimed
EP-1648564-A1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-04-26 EP claimed
WO-2005011812-A1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITHORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 WO claimed
US-20050026945-A1 Cyanoamide compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-03 US 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 (2 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-20050026945-A1 Cyanoamide compounds useful as malonyl-CoA decarboxylase inhibitors ACACA, ACACB, MCCC2 KDM4E 915/4885APP 2169/4885KMT2A 1067/4885
US-20080161358-A1 Cyanoamide Compounds Useful as Malonyl-COA Decarboxylase Inhibitors ACACA, ACACB, MCCC2 KDM4E 975/4885APP 2074/4885KMT2A 1128/4885

“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.