SCHEMBL1378282

SCHEMBL1378282

N#Cc1ccc(C(c2ccnc(N)n2)C(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.53
KCNA5 P22460 3/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
KCND3 Q9UK17 1/20 0.41
CYP11B2 P19099 3/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PTK2 Q05397 1/20 0.39
GRM4 Q14833 1/20 0.39
CYP11B1 P15538 2/20 0.36
POLB P06746 1/20 0.36
CYP17A1 P05093 1/20 0.36
NPY5R Q15761 1/20 0.36
CDC7 O00311 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CDK2 P24941 1/20 0.34
MAP3K14 Q99558 1/20 0.34
CHRNB2 P17787 1/20 0.34

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
SCHEMBL1379277 0.99 CYP19A1 (0.55) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL1378917 0.94 CYP19A1 (0.48) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL1382354 0.91 CYP19A1 (0.47) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL3810697 0.88 CYP19A1 (0.42) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL3818719 0.88 CYP19A1 (0.42) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL3887314 0.88 CYP19A1 (0.42) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL3898088 0.84 CYP19A1 (0.55) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL1377762 0.84 CYP19A1 (0.50) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL1380817 0.82 CYP19A1 (0.56) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL13716038 0.82 HSP90AA1 (0.42) CYP19A1KCNA5KCNE1KCNQ1KCND3

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 15 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
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 CYP19A1 4696/4885KCNA5 14/4885KCNE1 9/4885

“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.