SCHEMBL1380487

SCHEMBL1380487

Nc1cccc(C(c2cccc(N)n2)C(c2cccnc2)c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.53
KCNH2 Q12809 3/20 0.46
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 4/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
KCND3 Q9UK17 2/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
CYP19A1 P11511 1/20 0.38
ADORA2A P29274 2/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP51A1 Q16850 2/20 0.34
NPY5R Q15761 1/20 0.34
NQO2 P16083 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL1381267 0.87 KCNA5 (0.54) KCNA5KCNH2CYP3A4CYP2D6SLC6A2
SCHEMBL1377886 0.84 KCNA5 (0.54) KCNA5KCNH2CYP3A4CYP2D6SLC6A2
SCHEMBL1377644 0.84 KCNA5 (0.54) KCNA5KCNH2CYP3A4CYP2D6SLC6A2
SCHEMBL1380208 0.83 KCNA5 (0.51) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL1378716 0.82 KCNA5 (0.55) KCNA5KCNH2CYP3A4CYP2D6SLC6A2
SCHEMBL1379937 0.81 KMO (0.44) KCNA5KCNH2CYP3A4CYP2D6SLC6A2
SCHEMBL1382628 0.79 KCNA5 (0.54) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL3889985 0.79 KCNA5 (0.48) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL1381589 0.79 KCNA5 (0.52) KCNA5KCNH2CYP3A4KCND3KCNE1
SCHEMBL1377498 0.78 KCNA5 (0.61) KCNA5KCNH2SLC6A2SLC6A4SLC6A3

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 14 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
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 14/4885KCNH2 3/4885CYP3A4 916/4885

“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.