Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1379565

N#Cc1cccc(C(c2nccc(N)n2)C(c2cccnc2)c2cnccn2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.39
VNN1 O95497 1/20 0.37
MGLL Q99685 1/20 0.37
KCNA5 P22460 6/20 0.35
KCNH2 Q12809 2/20 0.35
GRM5 P41594 2/20 0.34
SGMS2 Q8NHU3 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
PRKDC P78527 1/20 0.33
GPR6 P46095 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL15005817 0.91 CYP19A1 (0.38) ATRVNN1MGLLKCNA5KCNH2
SCHEMBL1380974 0.83 CYP19A1 (0.42) ATRVNN1MGLLKCNA5KCNH2
SCHEMBL3898283 0.83 KCNA5 (0.44) ATRVNN1MGLLKCNA5KCNH2
Ammonia Solution, Strong SCHEMBL27668110 0.82 KCNA5 (0.38) ATRVNN1MGLLKCNA5KCNH2
SCHEMBL1379187 0.80 KCNA5 (0.40) ATRVNN1MGLLKCNA5KCNH2
SCHEMBL13716418 0.78 CYP19A1 (0.39) ATRVNN1MGLLKCNA5KCNH2
SCHEMBL13716248 0.74 KCNA5 (0.41) ATRVNN1MGLLKCNA5KCNH2
SCHEMBL1378651 0.73 KCNA5 (0.47) ATRVNN1MGLLKCNA5KCNH2
SCHEMBL1379569 0.73 KCNA5 (0.48) ATRVNN1MGLLKCNA5KCNH2
SCHEMBL3886787 0.72 KCNA5 (0.45) ATRVNN1MGLLKCNA5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP claimed
JP-4719744-B2 2011-07-06 JP claimed
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 EP claimed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 EP claimed
US-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias MERCK SHARP & DOHME LLC 2006-02-09 US claimed
WO-2006014877-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO claimed
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP disclosed
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 EP disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 EP disclosed
US-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias MERCK SHARP & DOHME LLC 2006-02-09 US disclosed
WO-2006014877-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO 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-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias KCNN2, KCNJ2, KCNH2 ATR 3378/4885VNN1 1566/4885MGLL 3136/4885

“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.