SCHEMBL1379567

SCHEMBL1379567

Nc1cccc(C(c2cccnc2)C(c2cccnc2)c2cnccn2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.52
KCNH2 Q12809 1/20 0.45
KCND3 Q9UK17 2/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
CFTR P13569 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GOPC Q9HD26 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
HSP90AA1 P07900 1/20 0.34
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MPO P05164 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL1378716 0.91 KCNA5 (0.55) KCNA5KCNH2KCND3KCNE1KCNQ1
SCHEMBL1377886 0.90 KCNA5 (0.54) KCNA5KCNH2KCND3KCNE1KCNQ1
SCHEMBL1377644 0.90 KCNA5 (0.54) KCNA5KCNH2KCND3KCNE1KCNQ1
SCHEMBL1381135 0.87 KCNA5 (0.54) KCNA5KCNH2KCND3KCNE1KCNQ1
SCHEMBL1379399 0.87 KCNA5 (0.54) KCNA5KCNH2KCND3KCNE1KCNQ1
SCHEMBL1381267 0.86 KCNA5 (0.54) KCNA5KCNH2KCND3KCNE1KCNQ1
SCHEMBL15014678 0.86 KCNA5 (0.53) KCNA5KCNH2KCND3KCNE1KCNQ1
SCHEMBL3886070 0.86 KCNA5 (0.53) KCNA5KCNH2KCND3KCNE1KCNQ1
SCHEMBL1382628 0.84 KCNA5 (0.54) KCNA5KCNH2KCND3KCNE1KCNQ1
SCHEMBL3826068 0.83 KCNA5 (0.40) KCNA5KCND3KCNE1KCNQ1CFTR

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
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-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 3/4885KCND3 41/4885

“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.