SCHEMBL2282198

SCHEMBL2282198

CC(c1ccccc1)c1nc2cc(C(=O)N3CCC(c4cccnc4)C3)ccc2n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
IDH1 O75874 5/20 0.43
HPGD P15428 1/20 0.42
SCN9A Q15858 1/20 0.41
HTR2B P41595 1/20 0.40
EPHX2 P34913 1/20 0.40
MAPK7 Q13164 6/20 0.39
MGLL Q99685 1/20 0.39
SPR P35270 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
ROCK2 O75116 1/20 0.38

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
SCHEMBL2286262 0.93 NAMPT (0.50) NAMPTHPGDSCN9AHTR2BEPHX2
SCHEMBL2285457 0.91 NAMPT (0.49) NAMPTHPGDSCN9AHTR2BEPHX2
SCHEMBL2277793 0.90 NAMPT (0.48) NAMPTHPGDSCN9AHTR2BEPHX2
SCHEMBL2277906 0.88 NAMPT (0.52) NAMPTHPGDEPHX2MAPK7MGLL
SCHEMBL2286051 0.87 NAMPT (0.52) NAMPTHPGDSCN9AHTR2BEPHX2
SCHEMBL2283714 0.87 NAMPT (0.51) NAMPTHPGDHTR2BEPHX2MAPK7
SCHEMBL2278725 0.86 NAMPT (0.48) NAMPTHPGDHTR2BEPHX2MAPK7
SCHEMBL2277871 0.86 NAMPT (0.51) NAMPTHPGDSCN9AHTR2BEPHX2
SCHEMBL2279428 0.86 NAMPT (0.51) NAMPTHPGDSCN9AHTR2BEPHX2
SCHEMBL2282725 0.86 HPGD (0.56) NAMPTHPGDHTR2BEPHX2MAPK7

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 1938/4885IDH1 4594/4885HPGD 1081/4885

“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.