SCHEMBL3624730

SCHEMBL3624730

COc1ccc2c(=O)n(C)c(C#N)c(-c3ccc(CO)cc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.56
KCNH2 Q12809 7/20 0.56
MAPK8 P45983 1/20 0.42
GRIA2 P42262 2/20 0.41
GRIA4 P48058 2/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
ENPP1 P22413 1/20 0.39
DPP4 P27487 1/20 0.39
MAOA P21397 1/20 0.38
GRM2 Q14416 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL3619470 0.90 KCNA5 (0.54) KCNA5KCNH2MAPK8GRIA2GRIA4
SCHEMBL3625094 0.86 KCNA5 (0.52) KCNA5KCNH2MAPK8GRIA2GRIA4
SCHEMBL3623178 0.86 KCNA5 (0.52) KCNA5KCNH2MAPK8GRIA2GRIA4
SCHEMBL3621163 0.85 KCNA5 (0.58) KCNA5KCNH2GRIA2GRIA4GABRA1
SCHEMBL3627786 0.85 KCNA5 (0.51) KCNA5KCNH2MAPK8DPP4MAOA
SCHEMBL3616349 0.85 KCNA5 (0.64) KCNA5KCNH2MAPK8GRIA2GRIA4
SCHEMBL3627513 0.83 KCNA5 (0.50) KCNA5KCNH2MAPK8GRIA2GRIA4
SCHEMBL3622580 0.83 KCNA5 (0.51) KCNA5KCNH2GABRA1GABRG2GABRB3
SCHEMBL3627068 0.82 KCNA5 (0.54) KCNA5KCNH2GABRA1GABRG2GABRB3
SCHEMBL1381724 0.81 KCNA5 (0.51) KCNA5KCNH2MAPK8TXNRD1TXNRD3

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 4 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-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.