SCHEMBL1380122

SCHEMBL1380122

CC(=O)Nc1cccc(C(c2cccnc2)C(c2cccc(C#N)c2)c2ccccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.46
GRM5 P41594 5/20 0.42
KCNA5 P22460 4/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
KCND3 Q9UK17 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRM4 Q14833 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
MGLL Q99685 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ADORA2A P29274 1/20 0.37
ATR Q13535 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
SCHEMBL1378014 0.93 KCNA5 (0.47) VNN1GRM5KCNA5KCNE1KCNQ1
SCHEMBL1377227 0.86 CYP1A2 (0.49) KCNA5KCNE1KCNQ1KCND3CYP1A2
SCHEMBL1381791 0.85 KCNA5 (0.60) VNN1GRM5KCNA5KCNE1KCNQ1
SCHEMBL3892969 0.84 KCNA5 (0.53) VNN1GRM5KCNA5KCNE1KCNQ1
SCHEMBL1379142 0.84 GRM5 (0.45) VNN1GRM5KCNA5KCNE1KCNQ1
SCHEMBL1380955 0.83 CYP19A1 (0.46) VNN1GRM5KCNA5MGLL
SCHEMBL3825361 0.82 CYP1A2 (0.51) KCNA5KCNE1KCNQ1KCND3CYP1A2
SCHEMBL1380823 0.82 KCNA5 (0.57) KCNA5KCNE1KCNQ1KCND3CYP1A2
SCHEMBL13715789 0.81 KCNA5 (0.45) VNN1GRM5KCNA5KCNE1KCNQ1
SCHEMBL1381946 0.81 KCNA5 (0.43) VNN1GRM5KCNA5KCNE1KCNQ1

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 16 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
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 VNN1 1566/4885GRM5 2379/4885KCNA5 14/4885

“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.