SCHEMBL2168526

SCHEMBL2168526

COc1ccc2nc(NCCO)c(C#N)c(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.48
KDM4E B2RXH2 3/20 0.47
KCNA5 P22460 2/20 0.44
ALDH1A1 P00352 3/20 0.43
ADORA1 P30542 4/20 0.43
KCNH2 Q12809 1/20 0.42
HTT P42858 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
RAD52 P43351 2/20 0.41
GSR P00390 2/20 0.40
MAPT P10636 1/20 0.40
CDK2 P24941 1/20 0.40
CLK1 P49759 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
MBNL1 Q9NR56 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 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
SCHEMBL3482220 0.87 KDM4E (0.43) ADORA2AKDM4EKCNA5ALDH1A1ADORA1
Hydrochloric Acid SCHEMBL3481371 0.85 KDM4E (0.41) ADORA2AKDM4EKCNA5ALDH1A1KCNH2
SCHEMBL3481736 0.85 KDM4E (0.44) ADORA2AKDM4EKCNA5ALDH1A1ADORA1
SCHEMBL3120498 0.82 KCNA5 (0.61) ADORA2AKDM4EKCNA5ALDH1A1ADORA1
SCHEMBL2168476 0.82 KDM4E (0.57) ADORA2AKDM4EALDH1A1ADORA1MAPT
SCHEMBL3482013 0.81 KDM4E (0.56) ADORA2AKDM4EALDH1A1ADORA1MAPT
SCHEMBL13401016 0.81 KDM4E (0.56) ADORA2AKDM4EALDH1A1ADORA1MAPT
SCHEMBL2171286 0.80 MAPT (0.54) KDM4EALDH1A1HTTRAD52MAPT
SCHEMBL3481271 0.80 KDM4E (0.55) ADORA2AKDM4EALDH1A1ADORA1MAPT
SCHEMBL3481836 0.78 KDM4E (0.53) ADORA2AKDM4EALDH1A1ADORA1MAPT

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-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
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
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 ADORA2A 1326/4885KDM4E 1076/4885KCNA5 28/4885

“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.