SCHEMBL2113428

SCHEMBL2113428

O=C(Nc1cnc(OCC(F)(F)F)c(-c2cccc(Cl)c2)c1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GRM5 P41594 2/20 0.50
TSHR P16473 2/20 0.50
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ABL1 P00519 1/20 0.46
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
UGCG Q16739 1/20 0.45

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
SCHEMBL2114487 0.90 KCNH2 (0.53) MEN1KMT2ATSHRNPC1SMN1; SMN2
SCHEMBL2117151 0.89 RAB9A (0.55) MEN1KMT2ATSHRNPC1SMN1; SMN2
SCHEMBL2113273 0.89 L3MBTL1 (0.59) MEN1KMT2ATSHRNPC1SMN1; SMN2
SCHEMBL2111927 0.87 L3MBTL1 (0.51) MEN1KMT2ATSHRNPC1SMN1; SMN2
SCHEMBL2115661 0.86 MEN1 (0.51) MEN1KMT2ATSHRNPC1SMN1; SMN2
SCHEMBL2114247 0.86 MAPT (0.52) MEN1KMT2ATSHRNPC1SMN1; SMN2
SCHEMBL2112892 0.86 L3MBTL1 (0.52) MEN1KMT2AGRM5TSHRNPC1
SCHEMBL2113550 0.85 RAB9A (0.55) MEN1KMT2ATSHRNPC1SMN1; SMN2
SCHEMBL27923486 0.85 TDP1 (0.57) MEN1KMT2ATSHRNPC1SMN1; SMN2
SCHEMBL2115920 0.83 SMN1; SMN2 (0.58) MEN1KMT2ATSHRNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP claimed
CN-103153957-B N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMAN-LA ROCHE LTD. (CH) 2016-01-20 CN claimed
EP-2627637-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2013-08-21 EP claimed
CN-103153957-A N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN LA ROCHE 2013-06-12 CN claimed
WO-2012049190-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 WO claimed
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
CN-103153957-B N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMAN-LA ROCHE LTD. (CH) 2016-01-20 CN disclosed
EP-2627637-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2013-08-21 EP disclosed
CN-103153957-A N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN LA ROCHE 2013-06-12 CN disclosed
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US disclosed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US disclosed
WO-2012049190-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 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-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES APOB, CETP, NPC1L1 MEN1 1838/4885KMT2A 1813/4885GRM5 1985/4885

“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.