SCHEMBL2282124

SCHEMBL2282124

O=C(c1ccc2c(c1)nc(-c1ccncc1)n2C1CCC1)N1CCC(c2cccnc2)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.57
SPR P35270 1/20 0.47
PADI4 Q9UM07 2/20 0.46
EGFR P00533 2/20 0.46
CYP11B2 P19099 4/20 0.45
CYP11B1 P15538 2/20 0.45
BCAT2 O15382 2/20 0.45
HTR2B P41595 1/20 0.43
HTR6 P50406 1/20 0.43
HSD11B1 P28845 1/20 0.42

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
SCHEMBL2280231 0.95 NAMPT (0.57) NAMPTSPRPADI4EGFRCYP11B2
SCHEMBL2283721 0.94 NAMPT (0.58) NAMPTSPRPADI4EGFRCYP11B2
SCHEMBL2285646 0.92 NAMPT (0.58) NAMPTSPRPADI4EGFRCYP11B2
SCHEMBL2279339 0.88 NAMPT (0.55) NAMPTSPRPADI4EGFRCYP11B2
SCHEMBL2281865 0.88 NAMPT (0.57) NAMPTSPRPADI4HSD11B1
SCHEMBL2275495 0.86 NAMPT (0.55) NAMPTSPRPADI4EGFRCYP11B2
SCHEMBL2280346 0.85 NAMPT (0.55) NAMPTSPRPADI4CYP11B2CYP11B1
SCHEMBL2283708 0.85 NAMPT (0.51) NAMPTSPRPADI4EGFRCYP11B2
SCHEMBL2282859 0.85 SPR (0.53) NAMPTSPRPADI4EGFRCYP11B2
SCHEMBL2279330 0.85 NAMPT (0.59) NAMPTSPRPADI4EGFRCYP11B2

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-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-08-24 EP claimed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO 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 1938/4885SPR 3835/4885PADI4 301/4885

“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.