SCHEMBL1380397

SCHEMBL1380397

COc1cccc(C(c2cccc(NC(C)=O)n2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.47
KCNA5 P22460 1/20 0.47
KCNQ1 P51787 1/20 0.47
KCND3 Q9UK17 1/20 0.47
CYP1A2 P05177 1/20 0.45
MAPK8 P45983 1/20 0.43
ITGB3 P05106 3/20 0.39
ITGAV P06756 3/20 0.39
ITGA2B P08514 2/20 0.39
GRM5 P41594 3/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL3891136 0.90 KCNE1 (0.46) KCNE1KCNA5KCNQ1KCND3CYP1A2
SCHEMBL1379524 0.89 KCNE1 (0.45) KCNE1KCNA5KCNQ1KCND3GRM5
SCHEMBL1380823 0.89 KCNA5 (0.57) KCNE1KCNA5KCNQ1KCND3CYP1A2
SCHEMBL1379170 0.89 KCNA5 (0.45) KCNE1KCNA5KCNQ1KCND3ITGB3
SCHEMBL13716188 0.89 KCNE1 (0.49) KCNE1KCNA5KCNQ1KCND3CYP1A2
SCHEMBL3893788 0.87 KCNE1 (0.43) KCNE1KCNA5KCNQ1KCND3CYP1A2
SCHEMBL1377227 0.84 CYP1A2 (0.49) KCNE1KCNA5KCNQ1KCND3CYP1A2
SCHEMBL13716094 0.83 MAPK8 (0.46) CYP1A2MAPK8KDM4ELMNA
SCHEMBL1378206 0.83 KCNA5 (0.69) KCNE1KCNA5KCNQ1KCND3ADORA3
SCHEMBL1378183 0.83 KCNA5 (0.69) KCNE1KCNA5KCNQ1KCND3ADORA3

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
JP-4719744-B2 2011-07-06 JP 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
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 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.