SCHEMBL6047739

SCHEMBL6047739

COc1ccc2c(OCC[C@@H](O)CO)nc(C#N)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.67
KCNH2 Q12809 8/20 0.67
SQOR Q9Y6N5 2/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
DHPS P49366 1/20 0.35
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL3111674 1.00 KCNA5 (0.67) KCNA5KCNH2SQORMAPK13MAPK12
SCHEMBL1382542 1.00 KCNA5 (0.67) KCNA5KCNH2SQORMAPK13MAPK12
SCHEMBL1385545 0.91 KCNA5 (0.81) KCNA5KCNH2SQORMAPK13MAPK12
SCHEMBL3123340 0.91 KCNA5 (0.81) KCNA5KCNH2SQORMAPK13MAPK12
SCHEMBL1381798 0.91 KCNA5 (0.81) KCNA5KCNH2SQORMAPK13MAPK12
SCHEMBL3121741 0.84 KCNA5 (0.55) KCNA5KCNH2SQORMAPK13MAPK12
SCHEMBL1384722 0.84 KCNA5 (0.57) KCNA5KCNH2SQORMAPK13MAPK12
SCHEMBL5510744 0.83 KCNA5 (0.55) KCNA5KCNH2SQORMAPK13MAPK12
SCHEMBL1383316 0.83 KCNA5 (0.68) KCNA5KCNH2SQORMAPK13MAPK12
SCHEMBL1382989 0.83 KCNA5 (0.68) KCNA5KCNH2SQORMAPK13MAPK12

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-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US claimed
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 5/4885SQOR 194/4885

“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.