SCHEMBL1386006

SCHEMBL1386006

COc1ccc2c(Cl)nc(C#N)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.66
KCNH2 Q12809 7/20 0.66
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SQOR Q9Y6N5 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL1383440 0.87 KCNA5 (0.67) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL1385303 0.87 KCNA5 (0.59) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL3119091 0.87 KCNA5 (0.54) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL1382043 0.86 KCNA5 (0.63) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL3115495 0.82 KCNA5 (0.69) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL1382839 0.81 KDM4E (0.45) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL1384577 0.81 KCNA5 (0.59) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL3263608 0.80 KCNH2 (1.00) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL3115869 0.79 KCNA5 (0.58) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL1382414 0.79 KCNA5 (0.61) KCNA5KCNH2MAPK13MAPK12MAPK11

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4794446-B2 2011-10-19 JP claimed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US claimed
EP-1667979-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-04-18 EP claimed
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US claimed
EP-1667979-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030130-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
EP-1667979-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-04-18 EP disclosed
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US disclosed
EP-1667979-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030130-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 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-20060276450-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNJ2 KCNA5 15/4885KCNH2 5/4885MAPK13 3770/4885

“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.