SCHEMBL2168475

SCHEMBL2168475

C=CCOc1nc2ccc(OC)cc2c(-c2cccc(F)c2)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.45
KCNH2 Q12809 5/20 0.45
SQOR Q9Y6N5 5/20 0.43
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK2 P24941 1/20 0.38
CLK1 P49759 1/20 0.38
DPP4 P27487 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ADORA1 P30542 2/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL2167818 0.91 KCNA5 (0.43) KCNA5KCNH2SQORABCC8KCNJ11
SCHEMBL2168453 0.83 KCNA5 (0.58) KCNA5KCNH2SQORABCC8KCNJ11
SCHEMBL3115869 0.82 KCNA5 (0.58) KCNA5KCNH2SQORKDM4EMAPT
SCHEMBL2167766 0.81 SQOR (0.48) KCNA5KCNH2SQORKDM4EALDH1A1
SCHEMBL2169067 0.81 KCNA5 (0.50) KCNA5KCNH2SQORABCC8KCNJ11
SCHEMBL2168279 0.80 KDM4E (0.49) KCNA5KCNH2SQORABCC8KCNJ11
SCHEMBL2181435 0.78 SYK (0.44) KCNA5KCNH2KDM4EALDH1A1MEN1
SCHEMBL2178628 0.76 MAPT (0.47) KCNA5KCNH2SQORKDM4EMAPT
SCHEMBL2183727 0.74 KCNH2 (0.70) KCNA5KCNH2SQORABCC8KCNJ11
SCHEMBL3620578 0.74 KCNA5 (0.55) KCNA5KCNH2KDM4EMAPTALDH1A1

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 17 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
CN-1856307-A Quinoline potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN 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
CN-1856307-A Quinoline potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN 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 1/4885SQOR 259/4885

“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.