SCHEMBL2114466

SCHEMBL2114466

C[C@H](Oc1ncc(N)nc1-c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.39
PIK3CD O00329 1/20 0.37
PDGFRA P16234 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
LRRK2 Q5S007 1/20 0.35
LTA4H P09960 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 2/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL9978114 0.82 CNR1 (0.40) PIK3CDPDGFRAPIK3CAPIK3CBPIK3CG
SCHEMBL412106 0.82 CNR1 (0.41) PIK3CDPDGFRAPIK3CAPIK3CBPIK3CG
SCHEMBL440107 0.82 CNR1 (0.41) PIK3CDPDGFRAPIK3CAPIK3CBPIK3CG
SCHEMBL412326 0.80 CNR1 (0.41) PIK3CDPDGFRAPIK3CAPIK3CBPIK3CG
SCHEMBL443283 0.80 CNR1 (0.41) PIK3CDPDGFRAPIK3CAPIK3CBPIK3CG
SCHEMBL2112541 0.78 CNR1 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGADORA2A
SCHEMBL2115645 0.78 MAP4K4 (0.43) MAP4K4PIK3CDPDGFRAPIK3CAPIK3CB
SCHEMBL412123 0.77 PTGS2 (0.45) MAP4K4LRRK2S1PR1S1PR3S1PR5
SCHEMBL460013 0.77 PTGS2 (0.45) MAP4K4LRRK2S1PR1S1PR3S1PR5
SCHEMBL2112647 0.76 TRPA1 (0.39) PIK3CDPDGFRAPIK3CAPIK3CBPIK3CG

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 MAP4K4 3299/4885PIK3CD 3104/4885PDGFRA 813/4885

“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.