SCHEMBL1242213

SCHEMBL1242213

COc1cccc(C(N)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

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
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
RAF1 P04049 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL1382290 0.83 KCNA5 (0.46) KCNA5KCNE1KCNQ1KCND3SLC6A2
SCHEMBL3812277 0.81 KCNA5 (0.41) KCNA5KCNE1KCNQ1KCND3SLC6A2
SCHEMBL1379814 0.81 POLB (0.41) KCNA5KCNE1KCNQ1KCND3ADORA3
SCHEMBL3893750 0.78 KCNA5 (0.39) KCNA5KCNE1KCNQ1KCND3ADORA3
SCHEMBL1380804 0.77 KCNA5 (0.38) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL3888393 0.77 KCNA5 (0.37) KCNA5KCNE1KCNQ1KCND3ADORA3
SCHEMBL3888394 0.77 KCNA5 (0.37) KCNA5KCNE1KCNQ1KCND3ADORA3
SCHEMBL1377552 0.75 KCNA5 (0.37) KCNA5KCNE1KCNQ1KCND3ADORA3
SCHEMBL1380325 0.75 KCNA5 (0.39) KCNA5KCNE1KCNQ1KCND3SLC6A2
SCHEMBL3891136 0.75 KCNE1 (0.46) KCNA5KCNE1KCNQ1KCND3ADORA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
WO-2006015159-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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885KCNE1 23/4885KCNQ1 4/4885

“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.