SCHEMBL1378201

SCHEMBL1378201

N#Cc1cccc(C(c2cncnc2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.51
KCNA5 P22460 4/20 0.46
KCNH2 Q12809 2/20 0.46
VNN1 O95497 3/20 0.44
CHRNB2 P17787 2/20 0.42
CHRNA5 P30532 2/20 0.42
CHRNA4 P43681 2/20 0.42
CYP11B2 P19099 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
MGLL Q99685 1/20 0.41
CFTR P13569 1/20 0.38

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
SCHEMBL1381350 0.86 CYP19A1 (0.49) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL1381261 0.86 CYP19A1 (0.49) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL1380955 0.82 CYP19A1 (0.46) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL1240925 0.82 CYP19A1 (0.51) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL9197340 0.82 SMN1; SMN2 (0.57) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL3814296 0.80 CHRNB2 (0.44) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL1378651 0.80 KCNA5 (0.47) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL3886037 0.79 CYP19A1 (0.43) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL3899464 0.79 VNN1 (0.43) CYP19A1KCNA5KCNH2VNN1CHRNB2
SCHEMBL18595855 0.79 CYP19A1 (0.54) CYP19A1KCNA5KCNH2VNN1CHRNB2

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 14/4885KCNH2 3/4885

“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.