SCHEMBL1384463

SCHEMBL1384463

CC(O)c1ccc2c(=O)n(C)c(C#N)c(-c3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.48
KCNH2 Q12809 6/20 0.48
DPP4 P27487 8/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
GRIA4 P48058 3/20 0.38
GRIA2 P42262 2/20 0.38
PGR P06401 1/20 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
Trifluoroacetic Acid SCHEMBL1384719 0.83 KCNA5 (0.43) KCNA5KCNH2DPP4
SCHEMBL3622912 0.81 KCNA5 (0.45) KCNA5KCNH2DPP4KDM4EALDH1A1
SCHEMBL3622647 0.81 KCNA5 (0.39) KCNA5KCNH2DPP4KDM4EALDH1A1
SCHEMBL3627056 0.80 KCNA5 (0.48) KCNA5KCNH2DPP4KDM4EALDH1A1
SCHEMBL3621940 0.80 DPP4 (0.62) KCNA5KCNH2DPP4KDM4EALDH1A1
SCHEMBL3624343 0.80 KCNA5 (0.44) KCNA5KCNH2DPP4KDM4EALDH1A1
SCHEMBL3627274 0.80 DPP4 (0.47) KCNA5KCNH2DPP4KDM4EALDH1A1
SCHEMBL3625816 0.80 KCNA5 (0.44) KCNA5KCNH2DPP4KDM4EALDH1A1
SCHEMBL3621922 0.78 KCNA5 (0.45) KCNA5KCNH2DPP4KDM4EALDH1A1
SCHEMBL3616349 0.78 KCNA5 (0.64) KCNA5KCNH2DPP4KDM4EALDH1A1

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 11 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
EP-1667981-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-08-13 EP disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 US disclosed
EP-1667981-A1 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030729-A1 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-20070054892-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNQ5 KCNA5 14/4885KCNH2 5/4885DPP4 2227/4885

“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.