SCHEMBL3115495

SCHEMBL3115495

COc1ccc2c(-n3nccn3)nc(C#N)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.69
KCNH2 Q12809 7/20 0.69
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SQOR Q9Y6N5 1/20 0.36
RPS6KB1 P23443 1/20 0.35
MET P08581 1/20 0.35
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.35
CYP17A1 P05093 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
SCHEMBL3124029 0.84 KCNA5 (0.67) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL1383440 0.83 KCNA5 (0.67) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL13380147 0.82 KCNA5 (0.67) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL3122052 0.82 KCNA5 (0.65) KCNA5KCNH2KDM4EALDH1A1LMNA
SCHEMBL1386006 0.82 KCNA5 (0.66) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL1382043 0.82 KCNA5 (0.63) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL3263608 0.82 KCNH2 (1.00) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL3117578 0.80 KCNA5 (0.62) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL3125974 0.78 KCNA5 (0.59) KCNA5KCNH2KDM4EALDH1A1LMNA
SCHEMBL1384577 0.76 KCNA5 (0.59) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.