SCHEMBL216677

SCHEMBL216677

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.45
MDM2 Q00987 4/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMO O15229 2/20 0.41
PDE4D Q08499 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4B Q07343 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
DCLRE1B Q9H816 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 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
SCHEMBL216312 0.88 SLC6A3 (0.42) L3MBTL1MAPTHTT
SCHEMBL212982 0.84 DHODH (0.43) KMOCYP3A4CYP2C19MAPTRXRA
SCHEMBL27824317 0.81 PDE4D (0.47) NPC1RAB9AL3MBTL1KMOPDE4D
SCHEMBL4065346 0.81 MAPT (0.43) PIN1MDM2L3MBTL1CYP2C19MAPT
SCHEMBL1018486 0.81 PIN1 (0.40) PIN1MDM2KMOPDE4DCYP3A4
SCHEMBL27824316 0.78 ADORA3 (0.38) NPC1RAB9APDE4DCYP3A4CYP2C19
SCHEMBL1018009 0.77 MDM2 (0.44) PIN1MDM2PDE4DCYP3A4CYP2C19
SCHEMBL212276 0.77 TRPV1 (0.46) NPC1RAB9A
SCHEMBL1017509 0.76 NPC1 (0.43) MDM2NPC1RAB9AKMOPDE4D
SCHEMBL214841 0.76 CNR1 (0.40) CYP3A4CYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101981015-B 3-trifluoromethyl-pyrazine-2-carboxylic acid amide derivatives as HDL-cholesterol raising agents HOFFMANN LA ROCHE 2013-08-21 CN disclosed
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
CN-101981015-A 3-trifluoromethyl-pyrazine-2-carboxylic acid amide derivatives as HDL-cholesterol raising agents HOFFMANN LA ROCHE 2011-02-23 CN 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 PIN1 4642/4885MDM2 4676/4885NPC1 20/4885

“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.