SCHEMBL1380772

SCHEMBL1380772

COc1ncccc1C(c1ccnc(N)n1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
KCNA5 P22460 9/20 0.39
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PTK2 Q05397 1/20 0.37
KCND3 Q9UK17 2/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
GRM4 Q14833 1/20 0.34
VDR P11473 1/20 0.34
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL1378020 0.84 KCNA5 (0.42) KCNA5KCND3VDRGAAKDM4E
SCHEMBL1380316 0.84 KCNA5 (0.42) KCNA5KCND3VDRGAAKDM4E
SCHEMBL1379814 0.81 POLB (0.41) POLBKCNA5HSP90AA1HSP90AB1PTK2
SCHEMBL1378484 0.80 POLB (0.40) POLBKCNA5HSP90AA1HSP90AB1PTK2
SCHEMBL1379406 0.78 KCNA5 (0.64) KCNA5KCND3KCNE1KCNQ1VDR
SCHEMBL13716038 0.75 HSP90AA1 (0.42) POLBKCNA5HSP90AA1HSP90AB1PTK2
SCHEMBL1377762 0.74 CYP19A1 (0.50) POLBKCNA5HSP90AA1HSP90AB1PTK2
SCHEMBL1378804 0.74 KCNA5 (0.43) POLBKCNA5HSP90AA1HSP90AB1PTK2
SCHEMBL1378615 0.73 CYP19A1 (0.51) POLBKCNA5HSP90AA1HSP90AB1PTK2
SCHEMBL1379937 0.71 KMO (0.44) POLBKCNA5HSP90AA1HSP90AB1PTK2

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
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-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 POLB 4812/4885KCNA5 14/4885HSP90AA1 4411/4885

“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.