SCHEMBL2643479

SCHEMBL2643479

Cc1sc(NC(=O)C(c2ccccc2)c2ccccc2)c(C#N)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.58
KDM4E B2RXH2 5/20 0.58
MAPT P10636 5/20 0.58
MAPK1 P28482 2/20 0.58
RAB9A P51151 5/20 0.57
HPGD P15428 6/20 0.56
HSD17B10 Q99714 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.53
NPC1 O15118 3/20 0.52
BRCA1 P38398 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 4/20 0.48
USP2 O75604 1/20 0.48
BAP1 Q92560 1/20 0.48
THRB P10828 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL2657613 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTMAPK1RAB9A
SCHEMBL2644197 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTMAPK1RAB9A
SCHEMBL1622707 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTMAPK1RAB9A
SCHEMBL2644228 0.75 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTRAB9AHPGD
SCHEMBL2644794 0.75 MAPK10 (0.72) ALDH1A1KDM4ERAB9AHPGDNPSR1
SCHEMBL4693720 0.74 ALDH1A1 (0.73) ALDH1A1KDM4ERAB9AHPGDNPSR1
SCHEMBL11858187 0.74 SMN1; SMN2 (0.64) ALDH1A1KDM4EMAPTMAPK1RAB9A
SCHEMBL1620406 0.73 ALDH1A1 (0.77) ALDH1A1KDM4EMAPTMAPK1RAB9A
SCHEMBL2644393 0.73 L3MBTL1 (0.67) ALDH1A1KDM4EMAPTRAB9AHPGD
SCHEMBL4693138 0.72 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620425-B1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-12-24 EP claimed
US-7138529-B2 Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-11-21 US claimed
EP-1620425-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-01 EP claimed
WO-2004092156-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-28 WO claimed
US-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists ERICKSON SHAWN DAVID (US) 2004-10-21 US claimed
US-20170143673-A1 Methods For Treating Heart Failure Using Glucagon Receptor Antagonists REMD Biotherapeutics, Inc 2017-05-25 US disclosed
EP-1620425-B1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-12-24 EP disclosed
US-7138529-B2 Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-11-21 US disclosed
US-7138529-B2 Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-11-21 US disclosed
US-7138529-B2 Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-11-21 US disclosed
EP-1620425-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-01 EP disclosed
WO-2004092156-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-28 WO disclosed
WO-2004092156-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-28 WO disclosed
US-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists ERICKSON SHAWN DAVID (US) 2004-10-21 US disclosed
US-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists ERICKSON SHAWN DAVID (US) 2004-10-21 US disclosed
US-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists ERICKSON SHAWN DAVID (US) 2004-10-21 US disclosed

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-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists GLP1R, GCGR, GPR119 ALDH1A1 1214/4885KDM4E 3893/4885MAPT 4468/4885
US-20170143673-A1 Methods For Treating Heart Failure Using Glucagon Receptor Antagonists GLP1R, GCGR, GIPR ALDH1A1 3069/4885KDM4E 826/4885MAPT 4610/4885

“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.