SCHEMBL2387789

SCHEMBL2387789

O=C(c1cccc(-c2cccc3cnccc23)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.56
SPR P35270 1/20 0.49
HSD11B1 P28845 3/20 0.44
TTK P33981 1/20 0.42
ROCK2 O75116 1/20 0.42
SERPINE1 P05121 1/20 0.42
LMNA P02545 1/20 0.42
SCD5 Q86SK9 2/20 0.41
SCD O00767 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
HPGD P15428 2/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
CCR5 P51681 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
SCHEMBL2389817 0.90 NAMPT (0.58) NAMPTSPRHSD11B1ROCK2
SCHEMBL2391668 0.87 NAMPT (0.56) NAMPTSPRHSD11B1ROCK2SCD5
SCHEMBL2390671 0.85 NAMPT (0.60) NAMPTSPRHSD11B1ROCK2LMNA
SCHEMBL2389900 0.85 NAMPT (0.62) NAMPTSPRHSD11B1SCD5SCD
SCHEMBL2391606 0.84 NAMPT (0.61) NAMPTSPRHSD11B1ROCK2SCD5
SCHEMBL2392406 0.81 NAMPT (0.66) NAMPTSPRHSD11B1SCD5PARP14
SCHEMBL2393145 0.81 NAMPT (0.63) NAMPTSPRHSD11B1LMNAHPGD
SCHEMBL2386692 0.81 NAMPT (0.73) NAMPTSPRHSD11B1SCD5ABL1
SCHEMBL15732634 0.81 NAMPT (0.65) NAMPTSPRHSD11B1SCD5SCD
SCHEMBL2388280 0.80 NAMPT (0.57) NAMPTSPRHSD11B1SCD5SCD

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 9 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
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.