SCHEMBL2279339

SCHEMBL2279339

O=C(c1ccc2c(c1)nc(-c1ccc(OC(F)(F)F)cc1)n2C1CCC1)N1CCC(c2cccnc2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.55
IDH1 O75874 4/20 0.48
HTR2B P41595 2/20 0.44
EPHX2 P34913 1/20 0.44
HTR6 P50406 1/20 0.43
PADI4 Q9UM07 1/20 0.43
EGFR P00533 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
SPR P35270 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
MAPK7 Q13164 3/20 0.40
BCAT2 O15382 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
SCHEMBL2280346 0.98 NAMPT (0.55) NAMPTIDH1HTR2BEPHX2HTR6
SCHEMBL2283708 0.93 NAMPT (0.51) NAMPTIDH1HTR2BEPHX2HTR6
SCHEMBL2281053 0.90 NAMPT (0.52) NAMPTIDH1HTR2BEPHX2HTR6
SCHEMBL2281405 0.89 NAMPT (0.55) NAMPTHTR2BEPHX2PADI4CYP11B1
SCHEMBL2280231 0.88 NAMPT (0.57) NAMPTHTR2BHTR6PADI4EGFR
SCHEMBL2282124 0.88 NAMPT (0.57) NAMPTHTR2BHTR6PADI4EGFR
SCHEMBL2286326 0.88 NAMPT (0.55) NAMPTIDH1HTR2BEPHX2PADI4
SCHEMBL2284970 0.88 NAMPT (0.55) NAMPTIDH1HTR2BEPHX2PADI4
SCHEMBL2286051 0.87 NAMPT (0.52) NAMPTHTR2BEPHX2PADI4CYP11B1
SCHEMBL2276187 0.87 NAMPT (0.54) NAMPTIDH1HTR2BEPHX2PADI4

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 4594/4885HTR2B 1332/4885

“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.