SCHEMBL2278276

SCHEMBL2278276

O=C(c1ccc2c(c1)nc(-c1ccccc1)n2CC(F)(F)F)N1CCC(c2cccnc2)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.57
PADI4 Q9UM07 7/20 0.55
HRH3 Q9Y5N1 5/20 0.46
SPR P35270 1/20 0.45
CYP11B2 P19099 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
SCN9A Q15858 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL2282199 0.96 NAMPT (0.58) NAMPTPADI4HRH3SPRCYP11B2
SCHEMBL2282193 0.91 NAMPT (0.55) NAMPTPADI4HRH3SPRCYP11B2
SCHEMBL2284970 0.91 NAMPT (0.55) NAMPTPADI4SPRCYP11B2SCN9A
SCHEMBL2280617 0.89 NAMPT (0.51) NAMPTPADI4SPRCYP11B2
SCHEMBL2282320 0.88 NAMPT (0.50) NAMPTPADI4HRH3NPC1RAB9A
SCHEMBL2282316 0.86 NAMPT (0.57) NAMPTPADI4SPRCYP11B2NPC1
SCHEMBL2286220 0.86 NAMPT (0.63) NAMPTPADI4HRH3SPRCYP11B2
SCHEMBL2284903 0.86 SPR (0.51) NAMPTPADI4SPR
SCHEMBL2285646 0.84 NAMPT (0.58) NAMPTPADI4HRH3SPRCYP11B2
SCHEMBL2279289 0.84 NAMPT (0.57) NAMPTPADI4HRH3SPRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP claimed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US claimed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US claimed
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 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-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 NAMPT 1938/4885PADI4 301/4885HRH3 290/4885

“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.