SCHEMBL3624316

SCHEMBL3624316

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

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.77
KCNH2 Q12809 6/20 0.77
DPP4 P27487 4/20 0.40
CHEK1 O14757 2/20 0.37
WEE1 P30291 2/20 0.37
SRC P12931 1/20 0.37
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
IDO1 P14902 1/20 0.34
ESR2 Q92731 2/20 0.33
MAP2K1 Q02750 1/20 0.33
ESR1 P03372 1/20 0.32
ESRRA P11474 1/20 0.32

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
SCHEMBL3623830 0.87 KCNA5 (1.00) KCNA5KCNH2DPP4GRIA2GRIA4
SCHEMBL3623938 0.85 KCNA5 (0.69) KCNA5KCNH2DPP4CHEK1GRIA2
SCHEMBL3621897 0.85 KCNA5 (0.69) KCNA5KCNH2DPP4CHEK1GRIA2
SCHEMBL3621579 0.82 KCNA5 (0.66) KCNA5KCNH2DPP4GRIA2GRIA4
SCHEMBL3111741 0.82 KCNA5 (0.56) KCNA5KCNH2DPP4CHEK1WEE1
SCHEMBL1384242 0.82 KCNA5 (0.65) KCNA5KCNH2DPP4GRIA2GRIA4
Trifluoroacetic Acid SCHEMBL3615567 0.79 KCNA5 (0.64) KCNA5KCNH2DPP4GRIA2GRIA4
SCHEMBL1385042 0.77 KCNA5 (0.82) KCNA5KCNH2DPP4
SCHEMBL3615570 0.77 KCNA5 (0.62) KCNA5KCNH2GRIA2GRIA4
SCHEMBL13283562 0.76 KCNA5 (0.82) KCNA5KCNH2DPP4GRIA2GRIA4

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 2 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 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 5/4885DPP4 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.