SCHEMBL1381589

SCHEMBL1381589

Nc1cccc(C(c2ccnc(N)n2)C(c2ccc(Cl)cc2)c2cccnc2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.52
KCNH2 Q12809 1/20 0.45
CYP19A1 P11511 1/20 0.44
KCND3 Q9UK17 2/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
POLB P06746 2/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PTK2 Q05397 1/20 0.36
GRM4 Q14833 1/20 0.34
ROCK1 Q13464 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SCN9A Q15858 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
SCHEMBL1382184 0.97 KCNA5 (0.53) KCNA5KCNH2CYP19A1KCND3KCNE1
SCHEMBL1377762 0.91 CYP19A1 (0.50) KCNA5KCNH2CYP19A1KCND3KCNE1
SCHEMBL1378615 0.89 CYP19A1 (0.51) KCNA5KCNH2CYP19A1KCND3KCNE1
SCHEMBL15005717 0.83 KCNA5 (0.46) KCNA5CYP19A1KCND3KCNE1KCNQ1
SCHEMBL1381267 0.83 KCNA5 (0.54) KCNA5KCNH2CYP19A1KCND3KCNE1
SCHEMBL1378917 0.82 CYP19A1 (0.48) KCNA5KCNH2CYP19A1KCND3KCNE1
SCHEMBL1380208 0.81 KCNA5 (0.51) KCNA5KCNH2KCND3KCNE1KCNQ1
SCHEMBL15005681 0.81 KCNA5 (0.39) KCNA5KCNH2CYP19A1KCND3KCNE1
SCHEMBL1381144 0.81 KCNA5 (0.46) KCNA5CYP19A1KCND3KCNE1KCNQ1
SCHEMBL1377886 0.80 KCNA5 (0.54) KCNA5KCNH2CYP19A1KCND3KCNE1

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 17 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
CN-1993348-A Potassium channel inhibitors MERCK & CO INC (US) 2007-07-04 CN 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
CN-1993348-A Potassium channel inhibitors MERCK & CO INC (US) 2007-07-04 CN 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 3/4885CYP19A1 4696/4885

“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.