SCHEMBL2643746

SCHEMBL2643746

N#Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCNC2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
MAPK10 P53779 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.51
THRB P10828 1/20 0.51
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.46
APEX1 P27695 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK9 P45984 1/20 0.44
GCGR P47871 1/20 0.44

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
SCHEMBL3419408 0.85 ALDH1A1 (0.71) ALDH1A1RAB9ANPC1MAPK10MEN1
SCHEMBL2644228 0.84 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1MAPK10MEN1
SCHEMBL2644794 0.84 MAPK10 (0.72) ALDH1A1RAB9ANPC1MAPK10MEN1
SCHEMBL4693720 0.83 ALDH1A1 (0.73) ALDH1A1RAB9ANPC1MAPK10MEN1
SCHEMBL2662075 0.83 APEX1 (0.47) ALDH1A1APEX1
SCHEMBL2887687 0.83 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1MAPK10MEN1
SCHEMBL2887690 0.83 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1MAPK10MEN1
SCHEMBL2643514 0.80 ALDH1A1 (0.52) ALDH1A1RAB9ANPC1MAPK10MEN1
SCHEMBL3349957 0.80 TGFBR1 (0.61) ALDH1A1RAB9ANPC1MAPK10MEN1
SCHEMBL13166377 0.80 TGFBR1 (0.61) ALDH1A1RAB9ANPC1MAPK10MEN1

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 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
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 (1 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 1214/4885RAB9A 4438/4885NPC1 2160/4885

“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.