SCHEMBL1377552

SCHEMBL1377552

COc1cccc(C(c2ccnc(SC)n2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
KCND3 Q9UK17 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
DYRK3 O43781 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CYP19A1 P11511 1/20 0.32
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL1379814 0.85 POLB (0.41) KCNA5KCNE1KCNQ1KCND3DYRK3
SCHEMBL3812277 0.81 KCNA5 (0.41) KCNA5KCNE1KCNQ1KCND3ADORA3
SCHEMBL1382290 0.80 KCNA5 (0.46) KCNA5KCNE1KCNQ1KCND3ADORA3
SCHEMBL1380325 0.77 KCNA5 (0.39) KCNA5KCNE1KCNQ1KCND3CYP19A1
SCHEMBL1380804 0.77 KCNA5 (0.38) KCNA5KCNE1KCNQ1KCND3GAA
SCHEMBL3814522 0.76 VNN1 (0.40) KCNA5KCNE1KCNQ1KCND3GAA
SCHEMBL1242213 0.75 KCNA5 (0.37) KCNA5KCNE1KCNQ1KCND3ADORA3
SCHEMBL3893750 0.75 KCNA5 (0.39) KCNA5KCNE1KCNQ1KCND3CYP19A1
SCHEMBL1380397 0.73 KCNE1 (0.47) KCNA5KCNE1KCNQ1KCND3ADORA3
SCHEMBL1378183 0.73 KCNA5 (0.69) KCNA5KCNE1KCNQ1KCND3GAA

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.