SCHEMBL1379569

SCHEMBL1379569

N#Cc1cccc(C(c2ccccn2)C(c2cccnc2)c2cccc(N)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.48
KCNH2 Q12809 3/20 0.42
VNN1 O95497 1/20 0.40
CYP19A1 P11511 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
ADORA2A P29274 2/20 0.37
ADORA2B P29275 1/20 0.37
MGLL Q99685 1/20 0.36
ATR Q13535 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 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
SCHEMBL1378651 0.92 KCNA5 (0.47) KCNA5KCNH2VNN1CYP19A1CHRNB2
SCHEMBL1380955 0.90 CYP19A1 (0.46) KCNA5KCNH2VNN1CYP19A1CHRNB2
Ammonia Solution, Strong SCHEMBL27668110 0.89 KCNA5 (0.38) KCNA5KCNH2VNN1CYP19A1CHRNB2
SCHEMBL3886787 0.88 KCNA5 (0.45) KCNA5KCNH2VNN1CYP19A1CHRNB2
SCHEMBL3898283 0.87 KCNA5 (0.44) KCNA5KCNH2VNN1CYP19A1CHRNB2
SCHEMBL3894888 0.87 CHRNB2 (0.41) KCNA5KCNH2VNN1CYP19A1CHRNB2
SCHEMBL1381135 0.86 KCNA5 (0.54) KCNA5KCNH2
SCHEMBL1379399 0.86 KCNA5 (0.54) KCNA5KCNH2
SCHEMBL3886070 0.85 KCNA5 (0.53) KCNA5KCNH2
SCHEMBL15014678 0.85 KCNA5 (0.53) KCNA5KCNH2

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
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP claimed
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-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP disclosed
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 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
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 KCNA5 14/4885KCNH2 3/4885VNN1 1566/4885

“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.