SCHEMBL2278048

SCHEMBL2278048

CC(c1ccccc1)c1nc2cc(C(=O)N3CCC(c4cccnc4)C3)ccc2n1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.53
SPR P35270 1/20 0.45
PROKR1 Q8TCW9 6/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ATM Q13315 1/20 0.42
ROCK2 O75116 1/20 0.42
PADI4 Q9UM07 1/20 0.41
HPGD P15428 1/20 0.41
HSD11B1 P28845 3/20 0.40
KMT2A Q03164 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
SCHEMBL2283196 0.91 NAMPT (0.56) NAMPTSPRPROKR1RAB9ANPC1
SCHEMBL2282003 0.86 NAMPT (0.56) NAMPTSPRPROKR1RAB9ANPC1
SCHEMBL2282198 0.83 NAMPT (0.48) NAMPTSPRROCK2HPGD
SCHEMBL2279784 0.81 NAMPT (0.68) NAMPTSPRPROKR1RAB9ANPC1
SCHEMBL2285618 0.79 NAMPT (0.54) NAMPTSPRPROKR1RAB9ANPC1
SCHEMBL2285726 0.78 MGLL (0.61) NAMPTSPRRAB9ANPC1ATM
SCHEMBL12374660 0.78 NAMPT (0.53) NAMPTSPRPROKR1PADI4HPGD
SCHEMBL2278753 0.78 SPR (0.53) NAMPTSPRPROKR1PADI4HPGD
SCHEMBL2276187 0.77 NAMPT (0.54) NAMPTSPRPADI4KMT2A
SCHEMBL2279289 0.77 NAMPT (0.57) NAMPTSPRRAB9ANPC1ATM

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 1938/4885SPR 3835/4885PROKR1 2070/4885

“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.