SCHEMBL2280644

SCHEMBL2280644

O=C(c1ccc2c(c1)nc(-c1cccc(OC(F)(F)F)c1)n2-c1cccnc1)N1CCC(c2cccnc2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.51
PADI4 Q9UM07 2/20 0.44
KIT P10721 2/20 0.43
GHSR Q92847 1/20 0.41
HPGD P15428 3/20 0.40
SPR P35270 1/20 0.40
SLC6A7 Q99884 1/20 0.40
HSD11B1 P28845 1/20 0.40
MGLL Q99685 2/20 0.40
MAPK7 Q13164 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 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
SCHEMBL2281405 0.93 NAMPT (0.55) NAMPTPADI4HPGDSPRMAPK7
SCHEMBL2283708 0.90 NAMPT (0.51) NAMPTPADI4KITGHSRSPR
SCHEMBL2281053 0.89 NAMPT (0.52) NAMPTPADI4KITGHSRSPR
SCHEMBL2286051 0.89 NAMPT (0.52) NAMPTPADI4HPGDSPRMGLL
SCHEMBL2280617 0.88 NAMPT (0.51) NAMPTPADI4KITGHSRSPR
SCHEMBL2280200 0.88 NAMPT (0.58) NAMPTPADI4GHSRHPGDSPR
SCHEMBL2279289 0.87 NAMPT (0.57) NAMPTPADI4HPGDSPRMGLL
SCHEMBL2285969 0.85 NAMPT (0.56) NAMPTPADI4SPRHSD11B1
SCHEMBL2281865 0.85 NAMPT (0.57) NAMPTPADI4HPGDSPRHSD11B1
SCHEMBL2391105 0.84 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 1938/4885PADI4 301/4885KIT 562/4885

“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.