SCHEMBL1384650

SCHEMBL1384650

COc1ccc2c(N3C[C@@H](O)[C@H](O)C3)nc(C#N)c(-c3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.53
KCNH2 Q12809 6/20 0.53
MAT2A P31153 1/20 0.40
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
USP2 O75604 2/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL1381875 1.00 KCNA5 (0.53) KCNA5KCNH2MAT2AKDM4EHSD17B10
SCHEMBL1381879 1.00 KCNA5 (0.53) KCNA5KCNH2MAT2AKDM4EHSD17B10
SCHEMBL1385829 1.00 KCNA5 (0.53) KCNA5KCNH2MAT2AKDM4EHSD17B10
SCHEMBL1382620 0.88 KCNA5 (0.50) KCNA5KCNH2MAT2AKDM4EHSD17B10
SCHEMBL5505607 0.88 KCNA5 (0.50) KCNA5KCNH2MAT2AKDM4EHSD17B10
SCHEMBL1383782 0.88 KCNA5 (0.50) KCNA5KCNH2MAT2AKDM4EHSD17B10
SCHEMBL1383656 0.88 KDM4E (0.53) KCNA5KCNH2KDM4EHSD17B10ALDH1A1
SCHEMBL3124134 0.87 KCNA5 (0.54) KCNA5KCNH2MAT2AKDM4EHSD17B10
SCHEMBL1382239 0.86 KCNA5 (0.53) KCNA5KCNH2KDM4EHSD17B10ALDH1A1
SCHEMBL1385352 0.86 KCNA5 (0.53) KCNA5KCNH2MAT2AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4794446-B2 2011-10-19 JP claimed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US claimed
EP-1667979-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-04-18 EP claimed
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US claimed
EP-1667979-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030130-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO 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
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 5/4885MAT2A 3983/4885

“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.