SCHEMBL2283708

SCHEMBL2283708

O=C(c1ccc2c(c1)nc(-c1cccc(OC(F)(F)F)c1)n2C1CCC1)N1CCC(c2cccnc2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.51
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
PADI4 Q9UM07 1/20 0.44
EGFR P00533 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KIT P10721 1/20 0.41
GHSR Q92847 1/20 0.41
BCAT2 O15382 1/20 0.41
SPR P35270 1/20 0.40
SLC6A7 Q99884 1/20 0.40
IDH1 O75874 4/20 0.40
HSD11B1 P28845 1/20 0.40
EPHX2 P34913 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL2281053 0.98 NAMPT (0.52) NAMPTHTR2BHTR6PADI4EGFR
SCHEMBL2279339 0.93 NAMPT (0.55) NAMPTHTR2BHTR6PADI4EGFR
SCHEMBL2280346 0.90 NAMPT (0.55) NAMPTHTR2BHTR6PADI4CYP11B1
SCHEMBL2280644 0.90 NAMPT (0.51) NAMPTPADI4KITGHSRSPR
SCHEMBL2280617 0.88 NAMPT (0.51) NAMPTPADI4CYP11B2KITGHSR
SCHEMBL2283721 0.88 NAMPT (0.58) NAMPTHTR2BHTR6PADI4EGFR
SCHEMBL2280231 0.87 NAMPT (0.57) NAMPTHTR2BHTR6PADI4EGFR
SCHEMBL2285969 0.85 NAMPT (0.56) NAMPTPADI4SPRHSD11B1
SCHEMBL2282124 0.85 NAMPT (0.57) NAMPTHTR2BHTR6PADI4EGFR
SCHEMBL2285646 0.84 NAMPT (0.58) NAMPTHTR2BHTR6PADI4EGFR

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 8 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
EP-2358202-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 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 (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 1938/4885HTR2B 1332/4885HTR6 3004/4885

“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.