SCHEMBL212256

SCHEMBL212256

COC(=O)c1nc(-c2ccc(Cl)cc2)c(N)nc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.51
PKM P14618 2/20 0.51
PLAU P00749 1/20 0.43
GAA P10253 1/20 0.43
CFTR P13569 1/20 0.41
MAPT P10636 6/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL215140 0.87 KDM4E (0.45) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL27803513 0.79 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL2466877 0.77 KDM4E (0.54) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL1918075 0.76 KDM4E (0.53) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL30481035 0.76 KDM4E (0.53) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL2464043 0.76 KDM4E (0.56) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL1917389 0.75 KDM4E (0.52) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL22366899 0.75 KDM4E (0.54) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL27803514 0.74 PTGDR2 (0.44) KDM4EALDH1A1PLAUGAAMAPT
SCHEMBL11030757 0.74 KDM4E (0.51) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM

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-2271632-B1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2013-04-17 EP disclosed
US-8088920-B2 3-trifluoromethyl-pyrazine-2-carboxylic acid amide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2012-01-03 US disclosed
EP-2271632-A1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. Hoffmann-La Roche AG (CH) 2011-01-12 EP disclosed
WO-2009121741-A1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-08 WO disclosed
US-20090247550-A1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-01 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-20090247550-A1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, PON1 KDM4E 2926/4885SMN1; SMN2 3403/4885L3MBTL1 2357/4885

“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.