SCHEMBL216312

SCHEMBL216312

COC(=O)c1nc(-c2cccc(Cl)c2)c(Br)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.42
CNR2 P34972 5/20 0.42
SLC6A2 P23975 1/20 0.41
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
TRPA1 O75762 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CFTR P13569 1/20 0.39
CNR1 P21554 2/20 0.39
VEGFA P15692 1/20 0.38
FLT1 P17948 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
GABRA5 P31644 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ADORA3 P0DMS8 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
SCHEMBL216677 0.88 PIN1 (0.45) MAPTHTTL3MBTL1
SCHEMBL215140 0.85 KDM4E (0.45) SLC6A3MAPTL3MBTL1KDM4E
SCHEMBL214880 0.85 KDM4E (0.48) SLC6A3SLC6A2MAPTCFTRKDM4E
SCHEMBL27824316 0.79 ADORA3 (0.38) CNR2MAPTHTTTRPA1ADORA3
SCHEMBL214841 0.78 CNR1 (0.40) CNR2CFTRCNR1GABRA5
SCHEMBL27803511 0.76 CNR2 (0.44) SLC6A3CNR2CNR1ADORA3
SCHEMBL212276 0.75 TRPV1 (0.46) CNR2CNR1
SCHEMBL27824317 0.75 PDE4D (0.47) MAPTHTTL3MBTL1EGLN1ADORA3
SCHEMBL14889559 0.75 SLC6A3 (0.44) SLC6A3CNR2SLC6A2MRGPRX4L3MBTL1
SCHEMBL212256 0.73 KDM4E (0.51) SLC6A3MAPTL3MBTL1CFTRKDM4E

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 SLC6A3 3479/4885CNR2 644/4885SLC6A2 3532/4885

“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.