SCHEMBL1385545

SCHEMBL1385545

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

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.81
KCNH2 Q12809 8/20 0.81
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
SQOR Q9Y6N5 1/20 0.37
ALK Q9UM73 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
CYP2D6 P10635 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA1 P30542 2/20 0.34

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
SCHEMBL3123340 1.00 KCNA5 (0.81) KCNA5KCNH2MAPK1TSHRSQOR
SCHEMBL1381798 1.00 KCNA5 (0.81) KCNA5KCNH2MAPK1TSHRSQOR
SCHEMBL6047739 0.91 KCNA5 (0.67) KCNA5KCNH2MAPK1TSHRSQOR
SCHEMBL1382542 0.91 KCNA5 (0.67) KCNA5KCNH2MAPK1TSHRSQOR
SCHEMBL3111674 0.91 KCNA5 (0.67) KCNA5KCNH2MAPK1TSHRSQOR
SCHEMBL6047723 0.90 KCNA5 (0.66) KCNA5KCNH2MAPK11MAPK14CYP2D6
SCHEMBL3122268 0.90 KCNA5 (0.66) KCNA5KCNH2MAPK11MAPK14CYP2D6
SCHEMBL3122262 0.90 KCNA5 (0.66) KCNA5KCNH2MAPK11MAPK14CYP2D6
SCHEMBL1381903 0.90 KCNA5 (1.00) KCNA5KCNH2MAPK1TSHRALK
SCHEMBL1382221 0.90 KCNA5 (1.00) KCNA5KCNH2MAPK1TSHRALK

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 11 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
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 5/4885MAPK1 1913/4885

“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.