SCHEMBL3623938

SCHEMBL3623938

N#Cc1c(-c2cccc(F)c2)c2cc(-c3ccsc3)ccc2c(=O)n1CC(O)CO

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.69
KCNH2 Q12809 6/20 0.69
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
RIPK3 Q9Y572 1/20 0.32
DPP4 P27487 2/20 0.32
ICMT O60725 1/20 0.32
SLC6A9 P48067 1/20 0.31
MAP4K4 O95819 1/20 0.31
IDO1 P14902 1/20 0.31
CHEK1 O14757 1/20 0.30
GLO1 Q04760 1/20 0.30

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
SCHEMBL3624316 0.85 KCNA5 (0.77) KCNA5KCNH2GRIA2GRIA4DPP4
SCHEMBL3621897 0.84 KCNA5 (0.69) KCNA5KCNH2GRIA2GRIA4RIPK3
SCHEMBL3621579 0.84 KCNA5 (0.66) KCNA5KCNH2GRIA2GRIA4DPP4
SCHEMBL1384242 0.83 KCNA5 (0.65) KCNA5KCNH2GRIA2GRIA4DPP4
SCHEMBL3623830 0.81 KCNA5 (1.00) KCNA5KCNH2GRIA2GRIA4DPP4
Trifluoroacetic Acid SCHEMBL3615567 0.78 KCNA5 (0.64) KCNA5KCNH2GRIA2GRIA4DPP4
SCHEMBL1381910 0.78 KCNA5 (0.40) KCNA5KCNH2ICMTSLC6A9
SCHEMBL3615570 0.75 KCNA5 (0.62) KCNA5KCNH2GRIA2GRIA4ICMT
SCHEMBL3621169 0.72 KCNA5 (0.43) KCNA5KCNH2DPP4GLO1
SCHEMBL1385042 0.72 KCNA5 (0.82) KCNA5KCNH2DPP4

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 5/4885GRIA2 1167/4885

“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.