SCHEMBL1380804

SCHEMBL1380804

COc1cccc(C(c2cccc(C#N)n2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
KCND3 Q9UK17 1/20 0.38
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CLK1 P49759 2/20 0.33
CLK2 P49760 2/20 0.33
DYRK1A Q13627 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DGKZ Q13574 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
SCHEMBL13716096 0.89 CYP19A1 (0.45) KCNA5KCNE1KCNQ1KCND3CYP19A1
SCHEMBL3889459 0.84 CYP19A1 (0.40) KCNA5KCNE1KCNQ1KCND3CYP19A1
SCHEMBL3812277 0.83 KCNA5 (0.41) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL1382290 0.81 KCNA5 (0.46) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL1379814 0.80 POLB (0.41) KCNA5KCNE1KCNQ1KCND3CYP19A1
SCHEMBL1242213 0.77 KCNA5 (0.37) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL1377552 0.77 KCNA5 (0.37) KCNA5KCNE1KCNQ1KCND3CYP19A1
SCHEMBL3893750 0.77 KCNA5 (0.39) KCNA5KCNE1KCNQ1KCND3CYP19A1
SCHEMBL1379524 0.76 KCNE1 (0.45) KCNA5KCNE1KCNQ1KCND3KDM4E
SCHEMBL1380397 0.75 KCNE1 (0.47) KCNA5KCNE1KCNQ1KCND3KDM4E

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 14/4885KCNE1 9/4885KCNQ1 8/4885

“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.