SCHEMBL2282859

SCHEMBL2282859

O=C(c1ccc2c(c1)nc(-c1ccc(Cl)cc1Cl)n2C1CCC1)N1CCC(c2cccnc2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.53
NAMPT P43490 2/20 0.51
HSD11B1 P28845 1/20 0.46
FASN P49327 1/20 0.41
EGFR P00533 2/20 0.41
PADI4 Q9UM07 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
F10 P00742 1/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.39
PROKR1 Q8TCW9 2/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL2281994 0.98 SPR (0.54) SPRNAMPTHSD11B1FASNEGFR
SCHEMBL2283599 0.89 SPR (0.53) SPRNAMPTHSD11B1FASNPADI4
SCHEMBL2283721 0.86 NAMPT (0.58) SPRNAMPTEGFRPADI4CYP11B1
SCHEMBL2279330 0.86 NAMPT (0.59) SPRNAMPTEGFRPADI4CYP11B1
SCHEMBL2284903 0.85 SPR (0.51) SPRNAMPTHSD11B1FASNPADI4
SCHEMBL2282124 0.85 NAMPT (0.57) SPRNAMPTHSD11B1EGFRPADI4
SCHEMBL2280231 0.85 NAMPT (0.57) SPRNAMPTEGFRPADI4CYP11B1
SCHEMBL2277910 0.84 NAMPT (0.57) SPRNAMPTHSD11B1PADI4F10
SCHEMBL2276205 0.83 NAMPT (0.51) SPRNAMPTHSD11B1FASNEGFR
SCHEMBL2280379 0.83 NAMPT (0.60) SPRNAMPTEGFRPADI4CYP11B1

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-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-08-24 EP claimed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO 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 SPR 3835/4885NAMPT 1938/4885HSD11B1 3304/4885

“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.