SCHEMBL215140

SCHEMBL215140

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 5/20 0.43
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 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
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
DHODH Q02127 1/20 0.40
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 1/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL212256 0.87 KDM4E (0.51) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL212982 0.87 DHODH (0.43) KDM4EALDH1A1MAPTXBP1NPSR1
SCHEMBL214880 0.86 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1PKMMAPT
SCHEMBL216312 0.85 SLC6A3 (0.42) KDM4EL3MBTL1MAPTSLC6A3
SCHEMBL27824550 0.77 NPSR1 (0.39) KDM4ESMN1; SMN2ALDH1A1MAPTXBP1
SCHEMBL212456 0.76 CNR1 (0.47) ALDH1A1
SCHEMBL4676300 0.74 SMN1; SMN2 (0.52) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL213838 0.73 TRPV1 (0.52)
SCHEMBL27824309 0.73 SLC6A3 (0.39) KDM4ESMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL27824551 0.73 PTGDR2 (0.45) KDM4EALDH1A1GAAMAPTDHODH

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.