SCHEMBL2280200

SCHEMBL2280200

O=C(c1ccc2c(c1)nc(-c1cccnc1)n2-c1cccnc1)N1CCC(c2cccnc2)C1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.58
PADI4 Q9UM07 2/20 0.50
SPR P35270 1/20 0.47
HPGD P15428 4/20 0.45
HTR2B P41595 1/20 0.43
MGLL Q99685 1/20 0.43
EGFR P00533 2/20 0.43
HSD11B1 P28845 1/20 0.42
SCD O00767 1/20 0.42
SCD5 Q86SK9 1/20 0.42
GHSR Q92847 1/20 0.41
ROCK2 O75116 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
SCHEMBL2279289 0.96 NAMPT (0.57) NAMPTPADI4SPRHPGDHTR2B
SCHEMBL2281865 0.94 NAMPT (0.57) NAMPTPADI4SPRHPGDMGLL
SCHEMBL2278765 0.91 NAMPT (0.55) NAMPTPADI4SPRHPGDMGLL
SCHEMBL2280644 0.88 NAMPT (0.51) NAMPTPADI4SPRHPGDMGLL
SCHEMBL2283721 0.88 NAMPT (0.58) NAMPTPADI4SPRHPGDHTR2B
SCHEMBL2281405 0.87 NAMPT (0.55) NAMPTPADI4SPRHPGDHTR2B
SCHEMBL2281990 0.86 NAMPT (0.59) NAMPTPADI4SPRHPGDMGLL
SCHEMBL2283599 0.86 SPR (0.53) NAMPTPADI4SPRHPGDMGLL
SCHEMBL2282957 0.85 NAMPT (0.54) NAMPTPADI4SPRHPGDMGLL
SCHEMBL2285726 0.85 MGLL (0.61) NAMPTPADI4SPRHPGDMGLL

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 4 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

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 1938/4885PADI4 301/4885SPR 3835/4885

“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.