SCHEMBL2167766

SCHEMBL2167766

COc1ccc2nc(OCc3cccnc3)c(C#N)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 3/20 0.48
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
KCNA5 P22460 3/20 0.42
KCNH2 Q12809 3/20 0.42
NPSR1 Q6W5P4 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
TLR8 Q9NR97 1/20 0.40
KDM4E B2RXH2 5/20 0.40
RXFP1 Q9HBX9 2/20 0.40
GLA P06280 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL2178628 0.86 MAPT (0.47) SQORKCNA5KCNH2ALDH1A1MEN1
SCHEMBL2168475 0.81 KCNA5 (0.45) SQORKCNA5KCNH2NPSR1ALDH1A1
SCHEMBL2167818 0.80 KCNA5 (0.43) SQORKCNA5KCNH2NPSR1ALDH1A1
SCHEMBL2168453 0.79 KCNA5 (0.58) SQORKCNA5KCNH2MAPK1TSHR
SCHEMBL3622231 0.77 GABRA1 (0.52) KCNA5KCNH2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2169067 0.77 KCNA5 (0.50) SQORKCNA5KCNH2KDM4EPDE10A
SCHEMBL2168279 0.76 KDM4E (0.49) SQORKCNA5KCNH2NPSR1ALDH1A1
SCHEMBL2181435 0.76 SYK (0.44) KCNA5KCNH2ALDH1A1MEN1KMT2A
SCHEMBL2640067 0.71 CLK1 (0.44) SQORKCNA5KCNH2NPSR1ALDH1A1
SCHEMBL2183727 0.71 KCNH2 (0.70) SQORKCNA5KCNH2NPSR1ALDH1A1

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 SQOR 259/4885PPARG 3915/4885NCOA2 3059/4885

“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.