SCHEMBL2391668

SCHEMBL2391668

O=C(c1cccc(-c2cccc3cccnc23)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.56
SPR P35270 1/20 0.49
HSD11B1 P28845 3/20 0.44
ROCK2 O75116 1/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
SCD5 Q86SK9 2/20 0.41
SCD O00767 1/20 0.41
HPGDS O60760 1/20 0.41
MAP3K12 Q12852 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PDE2A O00408 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41

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 0.90 NAMPT (0.58) NAMPTSPRHSD11B1ROCK2
SCHEMBL15732521 0.89 NAMPT (0.57) NAMPTSPRHSD11B1ROCK2SCD5
SCHEMBL15732618 0.87 NAMPT (0.51) NAMPTSPRHSD11B1ROCK2SCD5
SCHEMBL2387789 0.87 NAMPT (0.56) NAMPTSPRHSD11B1ROCK2HPGD
SCHEMBL2391643 0.85 NAMPT (0.51) NAMPTSPRHSD11B1ROCK2
SCHEMBL2393145 0.85 NAMPT (0.63) NAMPTSPRHSD11B1KDM4EL3MBTL1
SCHEMBL2389900 0.85 NAMPT (0.62) NAMPTSPRHSD11B1HPGDSCD5
SCHEMBL15732633 0.85 NAMPT (0.49) NAMPTSPRHSD11B1ROCK2
SCHEMBL2391606 0.84 NAMPT (0.61) NAMPTSPRHSD11B1ROCK2SCD5
SCHEMBL2390671 0.83 NAMPT (0.60) NAMPTSPRHSD11B1ROCK2SCD5

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-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
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 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-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.