SCHEMBL2390843

SCHEMBL2390843

Cc1cncc(C2CCN(C(=O)c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.47
NAMPT P43490 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
KDM1A O60341 1/20 0.44
KCNH2 Q12809 2/20 0.43
SCN9A Q15858 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
MCHR1 Q99705 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
SLC9A1 P19634 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 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
SCHEMBL2387708 0.89 NPC1 (0.52) PROKR1NAMPTNPC1RAB9AATM
SCHEMBL2392580 0.88 LMNA (0.48) PROKR1NAMPTNPC1RAB9AATM
SCHEMBL2390000 0.85 NAMPT (0.61) PROKR1NAMPTNPC1RAB9AATM
SCHEMBL12255559 0.85 NAMPT (0.56) PROKR1NAMPTNPC1RAB9AATM
SCHEMBL2387812 0.80 NAMPT (0.62) PROKR1NAMPTNPC1RAB9AATM
SCHEMBL2389787 0.80 NAMPT (0.61) PROKR1NAMPTNPC1RAB9AATM
SCHEMBL2391018 0.80 NAMPT (0.57) PROKR1NAMPTNPC1RAB9AATM
SCHEMBL2389841 0.79 NAMPT (0.54) PROKR1NAMPTNPC1RAB9AATM
SCHEMBL2389839 0.78 ENPP2 (0.47) PROKR1NPC1RAB9AATMKCNH2
SCHEMBL2388461 0.78 NAMPT (0.57) PROKR1NAMPTNPC1RAB9AATM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PROKR1 1753/4885NAMPT 2170/4885NPC1 561/4885

“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.