SCHEMBL2390671

SCHEMBL2390671

O=C(c1cccc(-c2ccncc2)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.60
SPR P35270 1/20 0.55
HSD11B1 P28845 2/20 0.49
LMNA P02545 1/20 0.49
ABL1 P00519 3/20 0.47
BCR P11274 3/20 0.47
SCD5 Q86SK9 2/20 0.46
SCD O00767 1/20 0.46
PARP14 Q460N5 1/20 0.45
PARP10 Q53GL7 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
CCR5 P51681 1/20 0.45
ACACB O00763 1/20 0.45
ROCK2 O75116 1/20 0.44

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) NAMPTSPRHSD11B1ABL1BCR
SCHEMBL2389900 0.93 NAMPT (0.62) NAMPTSPRHSD11B1ABL1BCR
SCHEMBL2386692 0.91 NAMPT (0.73) NAMPTSPRHSD11B1ABL1BCR
SCHEMBL2392406 0.89 NAMPT (0.66) NAMPTSPRHSD11B1ABL1BCR
SCHEMBL2390915 0.89 NAMPT (0.64) NAMPTSPRHSD11B1ABL1BCR
SCHEMBL15732634 0.89 NAMPT (0.65) NAMPTSPRHSD11B1ABL1BCR
SCHEMBL2391621 0.86 NAMPT (0.57) NAMPTSPRHSD11B1ABL1BCR
SCHEMBL2385535 0.85 NAMPT (0.56) NAMPTSPRABL1BCRPARP14
SCHEMBL2387789 0.85 NAMPT (0.56) NAMPTSPRHSD11B1LMNAABL1
SCHEMBL2393145 0.85 NAMPT (0.63) NAMPTSPRHSD11B1LMNAABL1

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 2765/4885HSD11B1 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.