SCHEMBL1378014

SCHEMBL1378014

CC(=O)Nc1cccc(C(c2cccc(C#N)c2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47
KCND3 Q9UK17 1/20 0.47
GRM5 P41594 6/20 0.45
VNN1 O95497 1/20 0.45
CYP1A2 P05177 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA2B P08514 1/20 0.40
BRAF P15056 1/20 0.39
MGLL Q99685 1/20 0.38
ATR Q13535 1/20 0.38
ADORA2A P29274 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
SCHEMBL1380122 0.93 VNN1 (0.46) KCNA5KCNE1KCNQ1KCND3GRM5
SCHEMBL3892969 0.91 KCNA5 (0.53) KCNA5KCNE1KCNQ1KCND3GRM5
SCHEMBL1379142 0.90 GRM5 (0.45) KCNA5KCNE1KCNQ1KCND3GRM5
SCHEMBL1380823 0.88 KCNA5 (0.57) KCNA5KCNE1KCNQ1KCND3CYP1A2
SCHEMBL13715789 0.87 KCNA5 (0.45) KCNA5KCNE1KCNQ1KCND3GRM5
SCHEMBL1381946 0.87 KCNA5 (0.43) KCNA5KCNE1KCNQ1KCND3GRM5
SCHEMBL1378630 0.84 KCNA5 (0.68) KCNA5KCNE1KCNQ1KCND3GRM5
SCHEMBL1378627 0.84 KCNA5 (0.68) KCNA5KCNE1KCNQ1KCND3GRM5
SCHEMBL1382088 0.84 KCNA5 (0.68) KCNA5KCNE1KCNQ1KCND3GRM5
SCHEMBL13715750 0.84 KCNA5 (0.68) KCNA5KCNE1KCNQ1KCND3GRM5

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 13 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
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
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US 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

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.