SCHEMBL1385042

SCHEMBL1385042

COc1ccc2c(=O)n(CC(O)CN(C)C)c(C#N)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.82
KCNH2 Q12809 10/20 0.82
MYLK Q15746 2/20 0.44
DPP4 P27487 1/20 0.41
MAPK8 P45983 1/20 0.39
CRY1 Q16526 4/20 0.37
CRY2 Q49AN0 4/20 0.37
PER2 O15055 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3623830 0.90 KCNA5 (1.00) KCNA5KCNH2DPP4MAPK8KDM4E
SCHEMBL3613934 0.90 KCNA5 (0.81) KCNA5KCNH2MYLKDPP4MAPK8
SCHEMBL3621068 0.83 KCNA5 (1.00) KCNA5KCNH2DPP4MAPK8KDM4E
SCHEMBL13256571 0.82 KCNA5 (0.73) KCNA5KCNH2DPP4MAPK8
SCHEMBL3625507 0.82 KCNA5 (0.73) KCNA5KCNH2DPP4MAPK8
SCHEMBL13256570 0.82 KCNA5 (0.73) KCNA5KCNH2DPP4MAPK8
SCHEMBL1384172 0.82 KCNA5 (0.78) KCNA5KCNH2DPP4MAPK8KDM4E
SCHEMBL3624319 0.82 KCNA5 (0.85) KCNA5KCNH2DPP4MAPK8
SCHEMBL13256552 0.82 KCNA5 (0.84) KCNA5KCNH2DPP4MAPK8KDM4E
SCHEMBL3623960 0.81 KCNA5 (0.89) KCNA5KCNH2DPP4MAPK8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4824563-B2 2011-11-30 JP claimed
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 US claimed
EP-1667981-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-08-13 EP claimed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 US claimed
EP-1667981-A1 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030729-A1 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 US disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 US 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-20070054892-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNQ5 KCNA5 14/4885KCNH2 5/4885MYLK 310/4885

“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.