SCHEMBL2389900

SCHEMBL2389900

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.62
SPR P35270 1/20 0.57
ABL1 P00519 3/20 0.52
BCR P11274 3/20 0.52
HSD11B1 P28845 2/20 0.51
SCD5 Q86SK9 3/20 0.50
SCD O00767 2/20 0.50
KMO O15229 1/20 0.50
HTR2B P41595 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
HPGD P15428 1/20 0.47
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
CCR5 P51681 1/20 0.46

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
SCHEMBL2391606 0.94 NAMPT (0.61) NAMPTSPRABL1BCRHSD11B1
SCHEMBL2390671 0.93 NAMPT (0.60) NAMPTSPRABL1BCRHSD11B1
SCHEMBL2392406 0.91 NAMPT (0.66) NAMPTSPRABL1BCRHSD11B1
SCHEMBL2386692 0.91 NAMPT (0.73) NAMPTSPRABL1BCRHSD11B1
SCHEMBL15732634 0.91 NAMPT (0.65) NAMPTSPRABL1BCRHSD11B1
SCHEMBL2390864 0.88 NAMPT (0.64) NAMPTSPRABL1BCRHSD11B1
SCHEMBL2391621 0.88 NAMPT (0.57) NAMPTSPRABL1BCRHSD11B1
SCHEMBL2393145 0.87 NAMPT (0.63) NAMPTSPRABL1BCRHSD11B1
SCHEMBL2388280 0.86 NAMPT (0.57) NAMPTSPRHSD11B1SCD5SCD
SCHEMBL2391105 0.86 NAMPT (0.55) NAMPTSPRABL1BCRHSD11B1

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
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 2765/4885ABL1 2705/4885

“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.