SCHEMBL1383486

SCHEMBL1383486

O=C(Nc1ccccc1)Nc1cccc(C(c2cccnc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
KCNE1 P15382 1/20 0.50
KCNA5 P22460 1/20 0.50
KCNQ1 P51787 1/20 0.50
KCND3 Q9UK17 1/20 0.50
GBA1 P04062 1/20 0.50
ADORA3 P0DMS8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PIM1 P11309 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
FLT3 P36888 1/20 0.47
PIM3 Q86V86 1/20 0.47
AURKB Q96GD4 1/20 0.47
CYP2C9 P11712 2/20 0.47

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
SCHEMBL3885685 0.87 KCNA5 (0.51) TSHRRAB9ANPC1KMT2AMEN1
SCHEMBL1380823 0.83 KCNA5 (0.57) KCNE1KCNA5KCNQ1KCND3SMN1; SMN2
SCHEMBL1379149 0.81 KCNE1 (0.55) TSHRKMT2AMEN1KCNE1KCNA5
SCHEMBL3895813 0.80 KCNA5 (0.47) TSHRKMT2AKCNE1KCNA5KCNQ1
SCHEMBL3886897 0.80 KCNA5 (0.54) KMT2AKCNE1KCNA5KCNQ1KCND3
SCHEMBL3886253 0.79 KCNA5 (0.67) RAB9ANPC1KMT2AKCNE1KCNA5
SCHEMBL13716162 0.78 KCNE1 (0.48) RAB9ANPC1KMT2AKCNE1KCNA5
SCHEMBL1377227 0.77 CYP1A2 (0.49) TSHRKCNE1KCNA5KCNQ1KCND3
SCHEMBL1377525 0.77 KCNE1 (0.51) RAB9ANPC1KMT2AMEN1KCNE1
SCHEMBL13715924 0.77 KCNA5 (0.46) TSHRKCNE1KCNA5KCNQ1KCND3

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 14 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-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 TSHR 1986/4885RAB9A 1631/4885NPC1 1715/4885

“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.