SCHEMBL1379522

SCHEMBL1379522

CC(C)N(C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.38
DYRK1A Q13627 1/20 0.35
MAPT P10636 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PPARA Q07869 1/20 0.33
RPS6KA3 P51812 1/20 0.33
JAK3 P52333 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
GPR183 P32249 1/20 0.33
ACP1 P24666 1/20 0.32
CSNK1D P48730 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL1379523 1.00 APP (0.38) APPDYRK1AMAPTMEN1KMT2A
SCHEMBL1377144 0.91 MAPT (0.39) APPDYRK1AMAPTMEN1KMT2A
SCHEMBL1377147 0.91 MAPT (0.39) APPDYRK1AMAPTMEN1KMT2A
SCHEMBL1376385 0.89 KDM4E (0.40) APPMAPTMEN1KMT2ALMNA
SCHEMBL1379587 0.89 APP (0.41) APPMAPTMEN1KMT2ANPC1
SCHEMBL1376383 0.89 KDM4E (0.40) APPMAPTMEN1KMT2ALMNA
SCHEMBL1379586 0.89 APP (0.41) APPMAPTMEN1KMT2ANPC1
SCHEMBL1379601 0.88 APP (0.40) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL1376393 0.88 APP (0.42) APPMAPTMEN1KMT2ALMNA
SCHEMBL1375570 0.88 APP (0.40) APPDYRK1AMAPTMEN1KMT2A

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 APP 2169/4885DYRK1A 4021/4885MAPT 2998/4885
US-20080161358-A1 Cyanoamide Compounds Useful as Malonyl-COA Decarboxylase Inhibitors ACACA, ACACB, MCCC2 APP 2074/4885DYRK1A 3925/4885MAPT 2963/4885

“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.