SCHEMBL3124668

SCHEMBL3124668

COc1ccc2c(N3CC(O)C3)nc(C#N)c(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.51
KCNH2 Q12809 6/20 0.51
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 1/20 0.39
PDE10A Q9Y233 2/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 3/20 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
SCHEMBL3125625 0.86 KCNA5 (0.51) KCNA5KCNH2KDM4EMEN1KMT2A
SCHEMBL3117178 0.85 KCNA5 (0.49) KCNA5KCNH2KDM4EMEN1KMT2A
SCHEMBL3122216 0.84 KCNH2 (0.47) KCNA5KCNH2KDM4EMEN1KMT2A
SCHEMBL3113463 0.84 KCNA5 (0.48) KCNA5KCNH2KDM4EKMT2AALDH1A1
SCHEMBL3117183 0.83 KCNA5 (0.49) KCNA5KCNH2KDM4EMEN1KMT2A
SCHEMBL3119776 0.83 KMT2A (0.55) KCNA5KCNH2KDM4EMEN1KMT2A
SCHEMBL1381875 0.83 KCNA5 (0.53) KCNA5KCNH2KDM4EMEN1KMT2A
SCHEMBL1385829 0.83 KCNA5 (0.53) KCNA5KCNH2KDM4EMEN1KMT2A
SCHEMBL1384650 0.83 KCNA5 (0.53) KCNA5KCNH2KDM4EMEN1KMT2A
SCHEMBL1381879 0.83 KCNA5 (0.53) KCNA5KCNH2KDM4EMEN1KMT2A

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 disclosed
EP-1667979-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-04-18 EP disclosed
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US disclosed
EP-1667979-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030130-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO 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 5/4885KDM4E 811/4885

“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.