SCHEMBL1377154

SCHEMBL1377154

CS(=O)(=O)Nc1nccc(C(c2cccc(Br)c2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
KCND3 Q9UK17 1/20 0.53
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KCNH2 Q12809 1/20 0.36
CTPS1 P17812 4/20 0.35
SLC22A12 Q96S37 1/20 0.35
KMT2A Q03164 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
ALPL P05186 1/20 0.33
CA2 P00918 1/20 0.33
IDH1 O75874 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL3893017 0.88 KCNA5 (0.53) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL3898320 0.85 KCNA5 (0.50) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL3811576 0.83 KCNA5 (0.72) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL15005696 0.76 KCNA5 (0.38) KCNA5KCNE1KCNQ1KCND3KMT2A
SCHEMBL3901024 0.75 KCNA5 (0.84) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL1377982 0.73 KCNA5 (0.57) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL1381563 0.72 KCNA5 (0.83) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL1243241 0.71 KCNA5 (0.42) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL3899759 0.71 KCNA5 (0.72) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL1380627 0.70 KCNA5 (0.72) KCNA5KCNE1KCNQ1KCND3PTGS1

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 15 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
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US 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-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
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 KCNA5 14/4885KCNE1 9/4885KCNQ1 8/4885

“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.