SCHEMBL1385648

SCHEMBL1385648

Fc1ccc(C(c2cccc(Nc3cccnc3)n2)C(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.67
KCNA5 P22460 1/20 0.67
KCNQ1 P51787 1/20 0.67
KCND3 Q9UK17 1/20 0.67
POLB P06746 1/20 0.40
MARK3 P27448 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
KIF11 P52732 1/20 0.36
GPR55 Q9Y2T6 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL13716031 0.86 KCNA5 (0.68) KCNE1KCNA5KCNQ1KCND3POLB
SCHEMBL1378597 0.81 KCNA5 (1.00) KCNE1KCNA5KCNQ1KCND3POLB
SCHEMBL1379744 0.81 KCNA5 (1.00) KCNE1KCNA5KCNQ1KCND3POLB
SCHEMBL3831628 0.81 KCNA5 (0.64) KCNE1KCNA5KCNQ1KCND3POLB
SCHEMBL3893634 0.81 KCNA5 (0.64) KCNE1KCNA5KCNQ1KCND3POLB
SCHEMBL1379727 0.81 KCNE1 (0.70) KCNE1KCNA5KCNQ1KCND3POLB
SCHEMBL1377355 0.81 KCNE1 (0.67) KCNE1KCNA5KCNQ1KCND3POLB
SCHEMBL1381561 0.81 KCNA5 (1.00) KCNE1KCNA5KCNQ1KCND3POLB
SCHEMBL15014670 0.80 KCNA5 (0.66) KCNE1KCNA5KCNQ1KCND3POLB
SCHEMBL1381987 0.79 KCNA5 (0.64) KCNE1KCNA5KCNQ1KCND3POLB

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 13 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
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US 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
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 KCNE1 9/4885KCNA5 14/4885KCNQ1 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.