SCHEMBL502126

SCHEMBL502126

CCC(C)(C)Cc1cn(S(=O)(=O)N(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL502375 0.86 HTT (0.39) HTTFGFR1FGFR2FGFR4FGFR3
SCHEMBL9734970 0.76 HTT (0.41) HTTFGFR1FGFR2FGFR4FGFR3
SCHEMBL16523107 0.76 HTT (0.41) HTTFGFR1FGFR2FGFR4FGFR3
SCHEMBL502226 0.76 FGFR1 (0.32) HTTFGFR1FGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL31531698 0.75 HTT (0.40) HTTFGFR1FGFR2FGFR4FGFR3
SCHEMBL17233711 0.75 HTT (0.33) HTTFGFR1FGFR2FGFR4FGFR3
SCHEMBL16125138 0.74 HTT (0.34) HTTFGFR1FGFR2FGFR4FGFR3
SCHEMBL20808356 0.74 HTT (0.39) HTTFGFR1FGFR2FGFR4FGFR3
SCHEMBL7260183 0.74 HTT (0.39) HTTFGFR1FGFR2FGFR4FGFR3
SCHEMBL13384283 0.74 HTT (0.39) HTTFGFR1FGFR2FGFR4FGFR3

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318767-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP (US) 2012-11-27 US disclosed
US-8318767-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP (US) 2012-11-27 US disclosed
US-8318767-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP (US) 2012-11-27 US disclosed
US-8193228-B2 Substituted imidazole as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-8193228-B2 Substituted imidazole as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-8193228-B2 Substituted imidazole as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS SCHERING CORPORATION 2012-04-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators ALBANY MOLECULAR RESEARCH, INC. 2010-01-07 US disclosed
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators ALBANY MOLECULAR RESEARCH, INC. 2010-01-07 US disclosed
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators ALBANY MOLECULAR RESEARCH, INC. 2010-01-07 US disclosed
EP-2091937-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-26 EP disclosed
WO-2008051406-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO 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 (4 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR HTT 3120/4885FGFR1 599/4885FGFR2 870/4885
US-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS BRS3, GPR119, GIPR HTT 3120/4885FGFR1 599/4885FGFR2 870/4885
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR HTT 3120/4885FGFR1 599/4885FGFR2 870/4885
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators BRS3, INSR, INSRR HTT 3338/4885FGFR1 573/4885FGFR2 970/4885

“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.