SCHEMBL3125705

SCHEMBL3125705

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.81
KCNH2 Q12809 7/20 0.81
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 3/20 0.37
ALK Q9UM73 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
ADORA1 P30542 1/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3125696 1.00 KCNA5 (0.81) KCNA5KCNH2TSHRMAPK1KDM4E
SCHEMBL1384680 0.90 KCNA5 (1.00) KCNA5KCNH2TSHRMAPK1ALK
SCHEMBL1382221 0.90 KCNA5 (1.00) KCNA5KCNH2TSHRMAPK1ALK
SCHEMBL1381903 0.90 KCNA5 (1.00) KCNA5KCNH2TSHRMAPK1ALK
SCHEMBL3111735 0.89 KCNA5 (0.65) KCNA5KCNH2KDM4EALDH1A1KMT2A
SCHEMBL3111727 0.89 KCNA5 (0.65) KCNA5KCNH2KDM4EALDH1A1KMT2A
SCHEMBL1381798 0.89 KCNA5 (0.81) KCNA5KCNH2TSHRMAPK1KDM4E
SCHEMBL3123340 0.89 KCNA5 (0.81) KCNA5KCNH2TSHRMAPK1KDM4E
SCHEMBL1385545 0.89 KCNA5 (0.81) KCNA5KCNH2TSHRMAPK1KDM4E
SCHEMBL3109317 0.85 KCNA5 (0.81) KCNA5KCNH2TSHRMAPK1KDM4E

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-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 5/4885TSHR 3655/4885

“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.