SCHEMBL2170294

SCHEMBL2170294

COc1ccc2nc(NCCN3CCOCC3)c(C#N)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.54
CYP3A4 P08684 8/20 0.54
CYP2D6 P10635 7/20 0.54
CLK4 Q9HAZ1 7/20 0.54
USP2 O75604 5/20 0.54
HSD17B10 Q99714 5/20 0.54
CYP2C19 P33261 3/20 0.54
ALDH1A1 P00352 6/20 0.53
FLT3 P36888 4/20 0.50
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 1/20 0.47
RAD52 P43351 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIK3CD O00329 1/20 0.46

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
SCHEMBL3481934 0.92 USP2 (0.44) CYP1A2CYP3A4CYP2D6CLK4USP2
SCHEMBL2180622 0.90 USP2 (0.42) CYP1A2CYP3A4CYP2D6CLK4USP2
SCHEMBL5523470 0.80 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CLK4USP2
SCHEMBL2169294 0.77 KCNA5 (0.59) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL2169804 0.77 KCNA5 (0.59) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL2169298 0.77 KCNA5 (0.59) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL1085578 0.75 CYP1A2 (0.79) CYP1A2CYP3A4CYP2D6CLK4USP2
SCHEMBL2168279 0.74 KDM4E (0.49) CYP1A2CYP3A4CYP2D6HSD17B10CYP2C19
SCHEMBL2168526 0.73 ADORA2A (0.48) ALDH1A1KDM4ERAD52KMT2ASMN1; SMN2
SCHEMBL3482350 0.73 KCNA5 (0.46) CYP1A2CYP3A4CYP2D6USP2HSD17B10

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 14 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
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 CYP1A2 321/4885CYP3A4 348/4885CYP2D6 424/4885

“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.