SCHEMBL14761978

SCHEMBL14761978

O=C(Nc1cnc(OCC(F)(F)F)c(C2CCCC2)c1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 2/20 0.50
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TRPA1 O75762 1/20 0.46
NAMPT P43490 1/20 0.46
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 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
SCHEMBL14762115 0.99 CRACR2A (0.49) CRACR2ATSHRMEN1KMT2AHDAC1
SCHEMBL14761975 0.91 UGCG (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL14762024 0.90 KCNK3 (0.45) NAMPT
SCHEMBL14773843 0.89 RAF1 (0.42)
SCHEMBL14761897 0.88 NAMPT (0.53) CRACR2ATSHRMEN1KMT2ANAMPT
SCHEMBL14762301 0.87 NAMPT (0.55) TSHRMEN1KMT2ANAMPTLMNA
SCHEMBL14773836 0.85 NPC1 (0.49) SMN1; SMN2NPC1RAB9A
SCHEMBL14773904 0.84 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14761803 0.84 SCN10A (0.44) MEN1KMT2A
SCHEMBL14762236 0.83 SCN10A (0.45) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755950-B1 N-(5-CYCLOALKYL- OR 5-HETEROCYCLYL-)-PYRIDIN-3-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-05-04 EP claimed
CN-103796995-B N- (5-cycloalkyl-or 5-heterocyclyl) -pyridin-3-ylcarboxamide HOFFMAN-LA ROCHE LTD. (CH) 2015-10-07 CN claimed
US-8455501-B2 N-(5-cycloalkyl)-pyridin-3-yl carboxamides Hoffmann-La Roche Inc (US) 2013-06-04 US claimed
US-20130065911-A1 N-(5-CYCLOALKYL- OR 5-HETEROCYCLYL-)-PYRIDIN-3-YL CARBOXAMIDES HOFFMANN-LA ROCHE INC. 2013-03-14 US claimed
EP-2755950-B1 N-(5-CYCLOALKYL- OR 5-HETEROCYCLYL-)-PYRIDIN-3-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-05-04 EP disclosed
EP-2755950-B1 N-(5-CYCLOALKYL- OR 5-HETEROCYCLYL-)-PYRIDIN-3-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-05-04 EP disclosed
CN-103796995-B N- (5-cycloalkyl-or 5-heterocyclyl) -pyridin-3-ylcarboxamide HOFFMAN-LA ROCHE LTD. (CH) 2015-10-07 CN disclosed
EP-2755950-A1 N-(5-CYCLOALKYL- OR 5-HETEROCYCLYL-)-PYRIDIN-3-YL CARBOXAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 EP disclosed
US-8455501-B2 N-(5-cycloalkyl)-pyridin-3-yl carboxamides Hoffmann-La Roche Inc (US) 2013-06-04 US disclosed
US-8455501-B2 N-(5-cycloalkyl)-pyridin-3-yl carboxamides Hoffmann-La Roche Inc (US) 2013-06-04 US disclosed
WO-2013037704-A1 N-(5-CYCLOALKYL- OR 5-HETEROCYCLYL-)-PYRIDIN-3-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 WO disclosed
WO-2013037704-A1 N-(5-CYCLOALKYL- OR 5-HETEROCYCLYL-)-PYRIDIN-3-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 WO disclosed
US-20130065911-A1 N-(5-CYCLOALKYL- OR 5-HETEROCYCLYL-)-PYRIDIN-3-YL CARBOXAMIDES HOFFMANN-LA ROCHE INC. 2013-03-14 US disclosed
US-20130065911-A1 N-(5-CYCLOALKYL- OR 5-HETEROCYCLYL-)-PYRIDIN-3-YL CARBOXAMIDES HOFFMANN-LA ROCHE INC. 2013-03-14 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-20130065911-A1 N-(5-CYCLOALKYL- OR 5-HETEROCYCLYL-)-PYRIDIN-3-YL CARBOXAMIDES APOB, PCSK9, CETP CRACR2A 1844/4885TSHR 1883/4885MEN1 1504/4885

“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.