SCHEMBL2113429

SCHEMBL2113429

O=C(Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
TMPRSS4 Q9NRS4 8/20 0.49
PNLIP P16233 2/20 0.47
P2RX1 P51575 6/20 0.46
P2RX4 Q99571 4/20 0.46
P2RX7 Q99572 4/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FADS1 O60427 1/20 0.44
SLC2A1 P11166 1/20 0.43

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
SCHEMBL2114838 0.87 CNR1 (0.55) CNR1P2RX1MEN1KMT2AKDR
SCHEMBL2112441 0.86 CNR1 (0.52) CNR1MEN1KMT2AL3MBTL1KDR
SCHEMBL2114624 0.86 CNR1 (0.48) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2117015 0.84 CNR1 (0.52) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2112015 0.83 CNR1 (0.49) CNR1P2RX1KMT2ANPSR1L3MBTL1
SCHEMBL2114487 0.82 KCNH2 (0.53) CNR1MEN1KMT2AMAPTHTT
SCHEMBL2115870 0.82 CNR1 (0.56) CNR1MEN1KMT2AKDM4ELMNA
SCHEMBL2113292 0.82 CNR1 (0.52) CNR1MEN1KMT2AKDM4EHPGD
SCHEMBL2113781 0.82 CNR1 (0.54) CNR1KDRFLT3MAP4K5KCNH2
SCHEMBL2113119 0.82 CNR1 (0.54) CNR1KMT2AMAPTHTTRAB9A

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 17 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
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US claimed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US 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 CNR1 68/4885TMPRSS4 2101/4885PNLIP 50/4885

“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.