SCHEMBL2113283

SCHEMBL2113283

Cc1cc(C(=O)Nc2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
RAF1 P04049 2/20 0.42
BRAF P15056 2/20 0.42
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
NR3C1 P04150 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
KCNH2 Q12809 2/20 0.39
SSTR2 P30874 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2112859 0.87 NPC1 (0.54) CNR1RAF1BRAFPTGS2SMN1; SMN2
SCHEMBL17866272 0.86 MAPT (0.46) CNR1MAPTNPSR1KDRNR3C1
SCHEMBL2113765 0.84 LMNA (0.50) CNR1MAPTNPSR1RAF1BRAF
SCHEMBL2113272 0.84 CNR1 (0.49) CNR1MAPTNPSR1RAF1BRAF
SCHEMBL2113414 0.83 CNR1 (0.54) CNR1MAPTKDRPTGS2KCNH2
SCHEMBL2115180 0.82 CNR1 (0.51) CNR1MAPTRAF1BRAFKCNH2
SCHEMBL2115870 0.82 CNR1 (0.56) CNR1MAPTMEN1KMT2APTGS2
SCHEMBL2114245 0.82 CNR1 (0.50) CNR1MAPTNPSR1RAF1BRAF
SCHEMBL2113611 0.81 CNR1 (0.48) CNR1MAPTBRAFKDRMEN1
SCHEMBL2112797 0.81 CNR1 (0.49) CNR1MAPTMEN1KMT2APTGS2

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 5 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
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

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 68/4885MAPT 3637/4885NPSR1 669/4885

“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.