SCHEMBL1377147

SCHEMBL1377147

CC(C)N(C(=O)C(C#N)=Cc1cccc(C(F)(F)F)c1)c1ccc2nc(S)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
ERBB2 P04626 1/20 0.36
APP P05067 2/20 0.35
CDK2 P24941 1/20 0.34
JAK3 P52333 5/20 0.34
RPS6KA3 P51812 1/20 0.34
TP53 P04637 2/20 0.33
CSNK1D P48730 2/20 0.33
DYRK1A Q13627 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1377144 1.00 MAPT (0.39) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1379523 0.91 APP (0.38) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1379522 0.91 APP (0.38) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1376132 0.87 KMT2A (0.44) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL1376130 0.87 KMT2A (0.44) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL1379407 0.84 ALDH1A1 (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1379405 0.84 ALDH1A1 (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1376385 0.83 KDM4E (0.40) MAPTMEN1KMT2ALMNAAPP
SCHEMBL1379586 0.83 APP (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1376383 0.83 KDM4E (0.40) MAPTMEN1KMT2ALMNAAPP

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 MAPT 2998/4885MEN1 1792/4885KMT2A 1067/4885
US-20080161358-A1 Cyanoamide Compounds Useful as Malonyl-COA Decarboxylase Inhibitors ACACA, ACACB, MCCC2 MAPT 2963/4885MEN1 1636/4885KMT2A 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.