SCHEMBL3125397

SCHEMBL3125397

N#Cc1nc(NC[C@@H](O)CO)c2ccc(OC(F)F)cc2c1-c1cccc(F)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.66
KCNH2 Q12809 7/20 0.66
ADORA1 P30542 4/20 0.37
EGLN2 Q96KS0 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
SCN9A Q15858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1381502 1.00 KCNA5 (0.66) KCNA5KCNH2ADORA1EGLN2EGLN1
SCHEMBL6047738 1.00 KCNA5 (0.66) KCNA5KCNH2ADORA1EGLN2EGLN1
SCHEMBL1384017 0.90 KCNA5 (0.81) KCNA5KCNH2ADORA1EGLN2EGLN1
SCHEMBL5500034 0.90 KCNA5 (0.81) KCNA5KCNH2ADORA1EGLN2EGLN1
SCHEMBL1385728 0.90 KCNA5 (0.81) KCNA5KCNH2ADORA1EGLN2EGLN1
SCHEMBL3122262 0.83 KCNA5 (0.66) KCNA5KCNH2ADORA1EGLN2EGLN1
SCHEMBL6047723 0.83 KCNA5 (0.66) KCNA5KCNH2ADORA1EGLN2EGLN1
SCHEMBL3122268 0.83 KCNA5 (0.66) KCNA5KCNH2ADORA1EGLN2EGLN1
SCHEMBL1382989 0.82 KCNA5 (0.68) KCNA5KCNH2EGLN2EGLN1L3MBTL1
SCHEMBL1383316 0.82 KCNA5 (0.68) KCNA5KCNH2EGLN2EGLN1L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US claimed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 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-20060276450-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNJ2 KCNA5 15/4885KCNH2 5/4885ADORA1 3036/4885

“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.