SCHEMBL4460607

SCHEMBL4460607

CSc1cccc(N(c2ccc(F)cc2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
KCND3 Q9UK17 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ALOX5 P09917 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
KCNH2 Q12809 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 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
SCHEMBL4454560 0.90 SLC6A2 (0.41) KCNA5SLC6A2SLC6A4
SCHEMBL4469168 0.89 KCNA5 (0.40) KCNA5L3MBTL1SLC6A2SLC6A4
SCHEMBL4453037 0.85 KCNA5 (0.40) KCNA5SLC6A2SLC6A4
SCHEMBL4460464 0.83 MEN1 (0.39) KCNA5KCND3L3MBTL1SLC6A2SLC6A4
SCHEMBL4464233 0.81 KCNA5 (0.35) KCNA5SLC6A2SLC6A4
SCHEMBL4458283 0.79 KCNA5 (0.44) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL4456687 0.74 POLB (0.39) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL4458988 0.74 CYP2A6 (0.39) KCNA5L3MBTL1SLC6A2SLC6A4
SCHEMBL4457228 0.74 CYP2D6 (0.39) KCNA5KCND3KCNH2SLC6A2SLC6A4
SCHEMBL13971458 0.72 ELOVL1 (0.42) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP claimed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 KCNA5 11/4885KCNE1 23/4885KCNQ1 12/4885

“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.