SCHEMBL214880

SCHEMBL214880

COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)c(Br)nc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
RCE1 Q9Y256 1/20 0.48
NOTUM Q6P988 2/20 0.43
KMO O15229 4/20 0.41
SLC6A3 Q01959 6/20 0.41
SLC6A2 P23975 3/20 0.41
MAPT P10636 2/20 0.38
CHUK O15111 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CFTR P13569 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SLC6A4 P31645 1/20 0.37

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 0.86 KDM4E (0.45) KDM4EPKMSLC6A3MAPTALDH1A1
SCHEMBL216312 0.85 SLC6A3 (0.42) KDM4ESLC6A3SLC6A2MAPTCFTR
SCHEMBL212256 0.74 KDM4E (0.51) KDM4EPKMRCE1SLC6A3MAPT
SCHEMBL212982 0.73 DHODH (0.43) KDM4EKMOMAPTALDH1A1
SCHEMBL1017935 0.72 KMO (0.47) KMOSLC6A3MAPTMEN1KMT2A
SCHEMBL216677 0.72 PIN1 (0.45) KMOMAPT
SCHEMBL24987026 0.71 SCN9A (0.44) KDM4EPKMRCE1NOTUMKMO
SCHEMBL14462641 0.71 KDM4E (0.54) KDM4EPKMRCE1NOTUMKMO
SCHEMBL30185195 0.71 SCN9A (0.44) KDM4EPKMRCE1NOTUMKMO
SCHEMBL4056978 0.71 KMO (0.46) KMOMAPTMEN1KMT2A

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 2926/4885PKM 1764/4885RCE1 657/4885

“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.