SCHEMBL2393145

SCHEMBL2393145

O=C(c1cccc(-c2ccc3ncccc3c2)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.63
HPGD P15428 2/20 0.54
SPR P35270 1/20 0.49
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
PDE2A O00408 1/20 0.45
USP7 Q93009 1/20 0.44
HSD11B1 P28845 1/20 0.44
LMNA P02545 1/20 0.44
GSK3B P49841 1/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
MTOR P42345 1/20 0.43
KCNH2 Q12809 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
HTR2B P41595 1/20 0.43
ABL1 P00519 1/20 0.43

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
SCHEMBL2388786 0.92 NAMPT (0.65) NAMPTHPGDSPRDPP4DPP8
SCHEMBL2388280 0.92 NAMPT (0.57) NAMPTHPGDSPRHSD11B1PIK3CD
SCHEMBL2388351 0.89 NAMPT (0.64) NAMPTHPGDSPRDPP4DPP8
SCHEMBL2389900 0.87 NAMPT (0.62) NAMPTHPGDSPRHSD11B1HTR2B
SCHEMBL2388017 0.87 NAMPT (0.57) NAMPTHPGDSPRDPP4DPP8
SCHEMBL2391606 0.86 NAMPT (0.61) NAMPTSPRHSD11B1ABL1BCR
SCHEMBL15732482 0.85 NAMPT (0.56) NAMPTHPGDSPRDPP4DPP8
SCHEMBL2390671 0.85 NAMPT (0.60) NAMPTSPRHSD11B1LMNAABL1
SCHEMBL2391668 0.85 NAMPT (0.56) NAMPTHPGDSPRPDE2AHSD11B1
SCHEMBL2388894 0.85 NAMPT (0.55) NAMPTHPGDSPRDPP4DPP8

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 2170/4885HPGD 1194/4885SPR 2765/4885

“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.