SCHEMBL1381987

SCHEMBL1381987

O=C(O)CNc1cccc(C(c2ccc(F)cc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.64
KCNE1 P15382 1/20 0.64
KCNQ1 P51787 1/20 0.64
KCND3 Q9UK17 1/20 0.64
PTGER2 P43116 14/20 0.48
POLB P06746 1/20 0.44
EPHX2 P34913 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
PTGER4 P35408 1/20 0.38
TBXAS1 P24557 1/20 0.38

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
SCHEMBL3831628 0.85 KCNA5 (0.64) KCNA5KCNE1KCNQ1KCND3PTGER2
SCHEMBL3816026 0.84 KCNA5 (0.60) KCNA5KCNE1KCNQ1KCND3PTGER2
SCHEMBL1379727 0.83 KCNE1 (0.70) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL1377355 0.83 KCNE1 (0.67) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL3893634 0.83 KCNA5 (0.64) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL1379274 0.82 KCNA5 (0.61) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL15014670 0.82 KCNA5 (0.66) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL3886253 0.81 KCNA5 (0.67) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL3886811 0.80 KCNA5 (0.74) KCNA5KCNE1KCNQ1KCND3PTGER2
SCHEMBL3898299 0.80 KCNE1 (0.63) KCNA5KCNE1KCNQ1KCND3POLB

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 10 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
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US 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
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
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
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

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.