SCHEMBL2114332

SCHEMBL2114332

Nc1cnc(OCC(F)(F)F)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
THRB P10828 1/20 0.42
G6PD P11413 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADORA2A P29274 1/20 0.39
PTGS2 P35354 1/20 0.35
MBOAT4 Q96T53 1/20 0.34
AMD1 P17707 1/20 0.33
SCN9A Q15858 1/20 0.32
MAP4K1 Q92918 1/20 0.32

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
SCHEMBL7917315 0.81 PTGS2 (0.48) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL24208543 0.81 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL21940465 0.81 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4550344 0.80 LOXL2 (0.37) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL29837825 0.79 L3MBTL1 (0.38) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL26694362 0.79 L3MBTL1 (0.38) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL14823453 0.79 PTGS2 (0.38) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL1725930 0.79 ALDH1A1 (0.46) MAPTALDH1A1L3MBTL1KDM4EMEN1
Hydrochloric Acid SCHEMBL2713297 0.79 LOXL2 (0.38) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL27913679 0.78 PTGS2 (0.37) MAPTALDH1A1L3MBTL1KDM4EMEN1

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 10 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 disclosed
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP 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
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-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
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 MAPT 3637/4885ALDH1A1 1510/4885L3MBTL1 3387/4885

“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.