SCHEMBL3611618

SCHEMBL3611618

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

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.80
KCNH2 Q12809 9/20 0.80
MAPK8 P45983 3/20 0.53
DPP4 P27487 3/20 0.52
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13256468 0.90 KCNA5 (0.70) KCNA5KCNH2MAPK8DPP4GRIA2
SCHEMBL3618725 0.89 KCNA5 (0.68) KCNA5KCNH2MAPK8DPP4
SCHEMBL3621068 0.89 KCNA5 (1.00) KCNA5KCNH2MAPK8DPP4GRIA2
SCHEMBL3624901 0.88 KCNA5 (0.67) KCNA5KCNH2MAPK8DPP4
SCHEMBL13283452 0.87 KCNA5 (0.74) KCNA5KCNH2MAPK8DPP4KMT2A
SCHEMBL3626884 0.87 KCNA5 (0.66) KCNA5KCNH2MAPK8DPP4KMT2A
SCHEMBL4682066 0.87 KCNA5 (0.66) KCNA5KCNH2MAPK8DPP4
SCHEMBL3617133 0.85 KCNA5 (1.00) KCNA5KCNH2MAPK8DPP4
SCHEMBL3621295 0.85 KCNA5 (1.00) KCNA5KCNH2MAPK8DPP4
SCHEMBL3615307 0.85 KCNA5 (1.00) KCNA5KCNH2MAPK8DPP4

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
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
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 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 5/4885MAPK8 2438/4885

“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.