SCHEMBL1382736

SCHEMBL1382736

COc1ccc2c(=O)n(CC(O)Cn3ccnc3)c(C#N)c(-c3ccccc3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.73
KCNH2 Q12809 9/20 0.73
CYP19A1 P11511 4/20 0.47
DPP4 P27487 1/20 0.47
MAPK8 P45983 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
AGER Q15109 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3615307 0.85 KCNA5 (1.00) KCNA5KCNH2DPP4MAPK8
SCHEMBL3617133 0.85 KCNA5 (1.00) KCNA5KCNH2DPP4MAPK8
SCHEMBL3624319 0.85 KCNA5 (0.85) KCNA5KCNH2DPP4MAPK8
SCHEMBL3621295 0.85 KCNA5 (1.00) KCNA5KCNH2DPP4MAPK8
SCHEMBL3620184 0.84 KCNA5 (0.84) KCNA5KCNH2DPP4MAPK8
SCHEMBL3624106 0.83 KCNA5 (0.81) KCNA5KCNH2DPP4MAPK8
SCHEMBL1386096 0.83 KCNA5 (0.53) KCNA5KCNH2CYP19A1MAPK8CYP11B1
SCHEMBL3613934 0.82 KCNA5 (0.81) KCNA5KCNH2DPP4MAPK8
SCHEMBL3615364 0.81 KCNA5 (0.79) KCNA5KCNH2DPP4MAPK8
SCHEMBL3615733 0.81 KCNA5 (0.79) KCNA5KCNH2DPP4MAPK8

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
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
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 US claimed
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 US disclosed
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 US disclosed
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 5/4885CYP19A1 3880/4885

“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.