SCHEMBL2115920

SCHEMBL2115920

CCc1ccc(-c2cc(NC(=O)c3cccnc3)cnc2OCC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
TRPV1 Q8NER1 1/20 0.50
TRPA1 O75762 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 3/20 0.48
GFER P55789 2/20 0.48
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
ABL1 P00519 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL2113750 0.90 ABL1 (0.52) SMN1; SMN2RAB9ANPC1TRPV1ABL1
SCHEMBL2115661 0.90 MEN1 (0.51) SMN1; SMN2RAB9ANPC1TRPA1LMNA
SCHEMBL2117151 0.89 RAB9A (0.55) SMN1; SMN2RAB9ANPC1TRPA1LMNA
SCHEMBL2114487 0.89 KCNH2 (0.53) SMN1; SMN2RAB9ANPC1TRPA1MAPT
SCHEMBL2113550 0.87 RAB9A (0.55) SMN1; SMN2RAB9ANPC1TRPA1MAPT
SCHEMBL27923486 0.87 TDP1 (0.57) SMN1; SMN2RAB9ANPC1TRPA1LMNA
SCHEMBL2115972 0.85 KMT2A (0.46) SMN1; SMN2RAB9ANPC1TRPV1MAPT
SCHEMBL2114247 0.84 MAPT (0.52) SMN1; SMN2RAB9ANPC1TRPA1MAPT
SCHEMBL2113273 0.83 L3MBTL1 (0.59) SMN1; SMN2RAB9ANPC1TRPA1TSHR
SCHEMBL2111927 0.83 L3MBTL1 (0.51) SMN1; SMN2RAB9ANPC1TRPA1MAPT

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 SMN1; SMN2 3656/4885RAB9A 3480/4885NPC1 7/4885

“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.