SCHEMBL2644940

SCHEMBL2644940

N#Cc1c(C(N)=O)sc2c1CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.55
ADRA2B P18089 3/20 0.55
ADRA2C P18825 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
BPTF Q12830 2/20 0.53
ALDH1A1 P00352 6/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 2/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47

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
SCHEMBL1718759 0.97 BPTF (0.57) ADRA2AADRA2BADRA2CL3MBTL1POLB
SCHEMBL1719511 0.95 ALDH1A1 (0.58) ADRA2AADRA2BADRA2CL3MBTL1POLB
SCHEMBL4287806 0.78 ADORA1 (0.39) ADRA2AADRA2BADRA2CL3MBTL1POLB
SCHEMBL1719559 0.76 ALDH1A1 (0.55) L3MBTL1POLBALDH1A1MAPTALOX15
SCHEMBL6037024 0.75 ALDH1A1 (0.68) L3MBTL1ALDH1A1MAPTALOX15MAPK1
SCHEMBL3947965 0.74 ALDH1A1 (0.44) L3MBTL1POLBALDH1A1GAAMAPT
SCHEMBL1719677 0.73 ALDH1A1 (0.57) L3MBTL1POLBALDH1A1GAAMAPT
SCHEMBL1514467 0.73 BPTF (0.92) ADRA2AADRA2BADRA2CL3MBTL1POLB
SCHEMBL3913986 0.72 ALDH1A1 (0.68) L3MBTL1ALDH1A1GAAMAPTALOX15
SCHEMBL13569708 0.71 BPTF (0.58) ADRA2AADRA2BADRA2CL3MBTL1POLB

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 7 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-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
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
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 ADRA2A 452/4885ADRA2B 393/4885ADRA2C 382/4885
US-20170143673-A1 Methods For Treating Heart Failure Using Glucagon Receptor Antagonists GLP1R, GCGR, GIPR ADRA2A 118/4885ADRA2B 189/4885ADRA2C 259/4885

“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.