SCHEMBL1378308

SCHEMBL1378308

CC(C)(C)OC(=O)Nc1cccc(C(c2cccnc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.51
KCNA5 P22460 1/20 0.51
KCNQ1 P51787 1/20 0.51
KCND3 Q9UK17 1/20 0.51
NAMPT P43490 2/20 0.46
RAB9A P51151 1/20 0.42
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
METAP1 P53582 1/20 0.38
LCK P06239 2/20 0.36
MAPK1 P28482 1/20 0.36
GRM5 P41594 1/20 0.35
BCL2 P10415 1/20 0.35
CYP17A1 P05093 1/20 0.35

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
SCHEMBL3813504 0.98 KCNE1 (0.48) KCNE1KCNA5KCNQ1KCND3NAMPT
SCHEMBL3890982 0.95 KCNE1 (0.48) KCNE1KCNA5KCNQ1KCND3NAMPT
SCHEMBL3898299 0.93 KCNE1 (0.63) KCNE1KCNA5KCNQ1KCND3NAMPT
SCHEMBL3811556 0.92 KCNA5 (0.44) KCNE1KCNA5KCNQ1KCND3NAMPT
SCHEMBL3893788 0.91 KCNE1 (0.43) KCNE1KCNA5KCNQ1KCND3NAMPT
SCHEMBL1379149 0.88 KCNE1 (0.55) KCNE1KCNA5KCNQ1KCND3CYP3A4
SCHEMBL1377525 0.84 KCNE1 (0.51) KCNE1KCNA5KCNQ1KCND3RAB9A
SCHEMBL1380823 0.83 KCNA5 (0.57) KCNE1KCNA5KCNQ1KCND3CYP3A4
SCHEMBL3898287 0.81 POLB (0.41) RAB9ACYP1A2CYP2C19METAP1MAPK1
SCHEMBL3886897 0.80 KCNA5 (0.54) KCNE1KCNA5KCNQ1KCND3NAMPT

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 11 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
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.