SCHEMBL2279330

SCHEMBL2279330

O=C(c1ccc2c(c1)nc(-c1ccc(F)cc1F)n2C1CCC1)N1CCC(c2cccnc2)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.59
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
SPR P35270 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 1/20 0.41
PADI4 Q9UM07 1/20 0.41
RORC P51449 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
SCHEMBL2280379 0.98 NAMPT (0.60) NAMPTCYP11B1CYP11B2NPC1RAB9A
SCHEMBL2281990 0.89 NAMPT (0.59) NAMPTNPC1RAB9AATMSPR
SCHEMBL2282316 0.86 NAMPT (0.57) NAMPTCYP11B2NPC1RAB9AATM
SCHEMBL2280048 0.86 NAMPT (0.59) NAMPTNPC1RAB9AATMSMN1; SMN2
SCHEMBL2283721 0.86 NAMPT (0.58) NAMPTCYP11B1CYP11B2SPREGFR
SCHEMBL2282859 0.86 SPR (0.53) NAMPTCYP11B1CYP11B2SPREGFR
SCHEMBL2282124 0.85 NAMPT (0.57) NAMPTCYP11B1CYP11B2SPREGFR
SCHEMBL2280231 0.85 NAMPT (0.57) NAMPTCYP11B1CYP11B2NPC1RAB9A
SCHEMBL2281994 0.83 SPR (0.54) NAMPTCYP11B1CYP11B2SPREGFR
SCHEMBL2285646 0.82 NAMPT (0.58) NAMPTCYP11B1CYP11B2NPC1RAB9A

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 1938/4885CYP11B1 3659/4885CYP11B2 3710/4885

“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.