SCHEMBL2280231

SCHEMBL2280231

O=C(c1ccc2c(c1)nc(-c1ccccc1)n2C1CCC1)N1CCC(c2cccnc2)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.57
PADI4 Q9UM07 3/20 0.48
EGFR P00533 2/20 0.48
CYP11B2 P19099 4/20 0.47
CYP11B1 P15538 2/20 0.47
SPR P35270 1/20 0.47
BCAT2 O15382 1/20 0.46
HTR2B P41595 1/20 0.45
HTR6 P50406 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
ROCK2 O75116 1/20 0.43
SCD O00767 1/20 0.43
SCD5 Q86SK9 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
SCHEMBL2285646 0.97 NAMPT (0.58) NAMPTPADI4EGFRCYP11B2CYP11B1
SCHEMBL2283721 0.96 NAMPT (0.58) NAMPTPADI4EGFRCYP11B2CYP11B1
SCHEMBL2282124 0.95 NAMPT (0.57) NAMPTPADI4EGFRCYP11B2CYP11B1
SCHEMBL2279339 0.88 NAMPT (0.55) NAMPTPADI4EGFRCYP11B2CYP11B1
SCHEMBL2279289 0.88 NAMPT (0.57) NAMPTPADI4SPRHTR2BHRH3
SCHEMBL2283708 0.87 NAMPT (0.51) NAMPTPADI4EGFRCYP11B2CYP11B1
SCHEMBL2275495 0.86 NAMPT (0.55) NAMPTPADI4EGFRCYP11B2CYP11B1
SCHEMBL2280346 0.85 NAMPT (0.55) NAMPTPADI4CYP11B2CYP11B1SPR
SCHEMBL2282003 0.85 NAMPT (0.56) NAMPTPADI4CYP11B2CYP11B1SPR
SCHEMBL2282859 0.85 SPR (0.53) NAMPTPADI4EGFRCYP11B2CYP11B1

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 301/4885EGFR 4175/4885

“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.