SCHEMBL2281053

SCHEMBL2281053

O=C(c1ccc2c(c1)nc(-c1cccc(OC(F)(F)F)c1)n2C1CC1)N1CCC(c2cccnc2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.52
HTR2B P41595 1/20 0.47
HTR6 P50406 1/20 0.47
CYP11B2 P19099 4/20 0.45
CYP11B1 P15538 3/20 0.45
PADI4 Q9UM07 1/20 0.44
KIT P10721 1/20 0.42
GHSR Q92847 1/20 0.41
EGFR P00533 1/20 0.41
SPR P35270 1/20 0.41
SLC6A7 Q99884 1/20 0.41
HSD11B1 P28845 1/20 0.41
IDH1 O75874 4/20 0.40
MGLL Q99685 1/20 0.40
EPHX2 P34913 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
SCHEMBL2283708 0.98 NAMPT (0.51) NAMPTHTR2BHTR6CYP11B2CYP11B1
SCHEMBL2280346 0.92 NAMPT (0.55) NAMPTHTR2BHTR6CYP11B2CYP11B1
SCHEMBL2279339 0.90 NAMPT (0.55) NAMPTHTR2BHTR6CYP11B2CYP11B1
SCHEMBL2280644 0.89 NAMPT (0.51) NAMPTPADI4KITGHSRSPR
SCHEMBL2280617 0.89 NAMPT (0.51) NAMPTCYP11B2PADI4KITGHSR
SCHEMBL2285646 0.86 NAMPT (0.58) NAMPTHTR2BHTR6CYP11B2CYP11B1
SCHEMBL2285969 0.86 NAMPT (0.56) NAMPTPADI4SPRHSD11B1
SCHEMBL2275495 0.85 NAMPT (0.55) NAMPTHTR2BHTR6CYP11B2CYP11B1
SCHEMBL2283721 0.85 NAMPT (0.58) NAMPTHTR2BHTR6CYP11B2CYP11B1
SCHEMBL2391105 0.85 NAMPT (0.55) NAMPTGHSRSPRSLC6A7HSD11B1

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 1938/4885HTR2B 1332/4885HTR6 3004/4885

“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.