SCHEMBL2391643

SCHEMBL2391643

Cc1cc(-c2cccc3cccnc23)ccc1C(=O)N1CCC(c2cccnc2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.51
SPR P35270 1/20 0.47
HSD11B1 P28845 4/20 0.44
JAK2 O60674 4/20 0.41
JAK1 P23458 4/20 0.41
TYK2 P29597 4/20 0.41
JAK3 P52333 4/20 0.41
APLNR P35414 1/20 0.40
KDM5A P29375 1/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
ROCK2 O75116 1/20 0.40
AVPR2 P30518 1/20 0.39
AVPR1A P37288 1/20 0.39
SCN9A Q15858 1/20 0.38

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
SCHEMBL2388422 0.87 NAMPT (0.58) NAMPTSPRHSD11B1APLNRROCK2
SCHEMBL15732482 0.86 NAMPT (0.56) NAMPTSPRHSD11B1HCRTR1HCRTR2
SCHEMBL2391668 0.85 NAMPT (0.56) NAMPTSPRHSD11B1ROCK2
SCHEMBL2389086 0.83 NAMPT (0.55) NAMPTSPRHSD11B1ROCK2
SCHEMBL2391652 0.82 NAMPT (0.53) NAMPTSPRHSD11B1HCRTR1HCRTR2
SCHEMBL2515767 0.81 NAMPT (0.49) NAMPTSPRHSD11B1APLNRROCK2
SCHEMBL15732521 0.81 NAMPT (0.57) NAMPTSPRHSD11B1ROCK2
SCHEMBL15732618 0.79 NAMPT (0.51) NAMPTSPRHSD11B1ROCK2SCN9A
SCHEMBL2388338 0.79 NAMPT (0.52) NAMPTSPRHSD11B1
SCHEMBL15732633 0.77 NAMPT (0.49) NAMPTSPRHSD11B1ROCK2SCN9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP claimed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US claimed
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP claimed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US claimed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO claimed
EP-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO 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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 NAMPT 2170/4885SPR 2765/4885HSD11B1 1908/4885

“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.