SCHEMBL2169804

SCHEMBL2169804

COc1ccc2nc(NC[C@H](O)CO)c(C#N)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.59
KCNH2 Q12809 8/20 0.59
ADORA1 P30542 2/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SCN9A Q15858 2/20 0.39
SQOR Q9Y6N5 1/20 0.38
DPP4 P27487 1/20 0.38
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37

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
SCHEMBL2169298 1.00 KCNA5 (0.59) KCNA5KCNH2ADORA1KDM4EALDH1A1
SCHEMBL2169294 1.00 KCNA5 (0.59) KCNA5KCNH2ADORA1KDM4EALDH1A1
SCHEMBL4342810 0.83 KCNA5 (0.52) KCNA5KCNH2ADORA1KDM4EALDH1A1
SCHEMBL5500034 0.83 KCNA5 (0.81) KCNA5KCNH2ADORA1KDM4EALDH1A1
SCHEMBL4342811 0.83 KCNA5 (0.52) KCNA5KCNH2ADORA1KDM4EALDH1A1
SCHEMBL1384017 0.83 KCNA5 (0.81) KCNA5KCNH2ADORA1KDM4EALDH1A1
SCHEMBL2168453 0.83 KCNA5 (0.58) KCNA5KCNH2ADORA1SQORDPP4
SCHEMBL1385728 0.83 KCNA5 (0.81) KCNA5KCNH2ADORA1KDM4EALDH1A1
SCHEMBL2169067 0.81 KCNA5 (0.50) KCNA5KCNH2ADORA1KDM4ESQOR
SCHEMBL3481934 0.79 USP2 (0.44) KCNA5KCNH2KDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4722851-B2 2011-07-13 JP claimed
US-7692017-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US claimed
EP-1667683-A4 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-04-29 EP claimed
US-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias MERCK & CO., INC. (US) 2007-02-22 US claimed
EP-1667683-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030129-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
US-7692017-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7692017-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7692017-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
EP-1667683-A4 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-04-29 EP disclosed
US-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias MERCK & CO., INC. (US) 2007-02-22 US disclosed
US-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias MERCK & CO., INC. (US) 2007-02-22 US disclosed
US-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias MERCK & CO., INC. (US) 2007-02-22 US disclosed
EP-1667683-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030129-A2 QUINOLINE 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-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias KCNH2, KCNJ2, KCNQ1 KCNA5 28/4885KCNH2 1/4885ADORA1 1041/4885

“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.