SCHEMBL1378615

SCHEMBL1378615

Nc1nccc(C(c2ccc(Cl)cc2)C(c2cccnc2)c2ccnc(N)n2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
KCNA5 P22460 7/20 0.43
POLB P06746 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PTK2 Q05397 1/20 0.42
KCND3 Q9UK17 2/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
GRM4 Q14833 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP3A5 P20815 2/20 0.37
KCNH2 Q12809 1/20 0.36
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL1377762 0.99 CYP19A1 (0.50) CYP19A1KCNA5POLBHSP90AA1HSP90AB1
SCHEMBL1382184 0.93 KCNA5 (0.53) CYP19A1KCNA5POLBHSP90AA1HSP90AB1
SCHEMBL1378917 0.90 CYP19A1 (0.48) CYP19A1KCNA5POLBHSP90AA1HSP90AB1
SCHEMBL1381589 0.89 KCNA5 (0.52) CYP19A1KCNA5POLBHSP90AA1HSP90AB1
SCHEMBL1379937 0.85 KMO (0.44) CYP19A1KCNA5POLBHSP90AA1HSP90AB1
SCHEMBL1383601 0.84 KCNA5 (0.67) CYP19A1KCNA5POLBHSP90AA1HSP90AB1
SCHEMBL13716038 0.84 HSP90AA1 (0.42) CYP19A1KCNA5POLBHSP90AA1HSP90AB1
SCHEMBL15005519 0.84 KCNA5 (0.40) CYP19A1KCNA5POLBHSP90AA1HSP90AB1
SCHEMBL1379277 0.83 CYP19A1 (0.55) CYP19A1KCNA5POLBHSP90AA1HSP90AB1
SCHEMBL1378804 0.82 KCNA5 (0.43) KCNA5POLBHSP90AA1HSP90AB1PTK2

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 CYP19A1 4696/4885KCNA5 14/4885POLB 4812/4885

“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.