SCHEMBL1469602

SCHEMBL1469602

[O]CCOCCN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
LTA4H P09960 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SLC6A2 P23975 2/20 0.39
HRH1 P35367 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
CHRM4 P08173 1/20 0.38

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
SCHEMBL5418823 0.98 HRH3 (0.48) HRH3LTA4HKDM4ESMN1; SMN2MEN1
SCHEMBL7110089 0.87 HRH3 (0.55) HRH3LTA4HKDM4EHTTSMN1; SMN2
SCHEMBL8361918 0.85 HRH3 (0.60) HRH3LTA4HKDM4EHTTSMN1; SMN2
SCHEMBL10914988 0.85 HRH3 (0.52) HRH3LTA4HKDM4EHTTSMN1; SMN2
SCHEMBL7887990 0.85 HRH3 (0.60) HRH3LTA4HKDM4EHTTSMN1; SMN2
SCHEMBL24059343 0.85 HRH3 (0.60) HRH3LTA4HKDM4EHTTSMN1; SMN2
SCHEMBL9544504 0.85 HRH3 (0.52) HRH3LTA4HKDM4EHTTSMN1; SMN2
SCHEMBL9542003 0.85 HRH3 (0.52) HRH3LTA4HKDM4EHTTSMN1; SMN2
SCHEMBL9544441 0.82 HRH3 (0.57) HRH3LTA4HKDM4EHTTKMT2A
SCHEMBL9542084 0.82 HRH3 (0.57) HRH3LTA4HKDM4EHTTKMT2A

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 US claimed
US-7262201-B1 For the manufacture of a medicament for use in the production of an antiangiogenic and/or vascular permeability reducing effect in warm-blooded animals ASTRAZENECA AB (SE) 2007-08-28 US claimed
US-20070191346-A1 3-Cyano-quinoline derivatives ASTRAZENECA AB 2007-08-16 US claimed
US-7173136-B2 3-Cyano-quinoline derivatives ASTRAZENECA AB (SE) 2007-02-06 US claimed
US-7173135-B2 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB (SE) 2007-02-06 US claimed
US-20060089382-A1 7-[3-(4-acetylpiperazin-1-yl)propoxy]-3-cyano-6-methoxy-4-[4-(3-methoxyprop-1-ynyl)-2,3-methylenedioxyanilino]quinoline; potent anti-tumour activity; inhibition of MEK enzymes involved in the MAPK kinase pathway, inhibiting the non-receptor tyrosine-specific protein kinases ASTRAZENECA AB (SE) 2006-04-27 US claimed
US-20050282856-A1 3-Cyano-quinoline derivatives ASTRAZENECA AB (SE) 2005-12-22 US claimed
EP-1575943-A1 3-CYANO-QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2005-09-21 EP claimed
EP-1119567-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-04 EP claimed
WO-2004041811-A1 3-CYANO-QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-05-21 WO claimed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP claimed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO claimed
EP-0576915-B1 cyclopentanperhydrophenanthren-17beta-(3-furyl)-3-derivatives and pharmaceutical compositions comprising same for the treatment of cardiovascular disorders SIGMA TAU IND FARMACEUTI (IT) 1997-04-16 EP claimed
EP-0590272-B1 17B-Aryl and 17B-heterocyclyl-5-beta,14-beta-andostane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1997-01-02 EP claimed
EP-0590271-B1 17-Aryl and 17-heterocyclyl-14beta-5alpha-androstane, androstene and androstadiene derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1996-11-27 EP claimed
EP-0590272-A2 17B-Aryl and 17B-heterocyclyl-5-beta,14-beta-andostane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-04-06 EP claimed
EP-0590271-A2 17-Aryl and 17-heterocyclyl-14beta-5alpha-androstane, androstene and androstadiene derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-04-06 EP claimed
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
EP-0590272-A2 17B-Aryl and 17B-heterocyclyl-5-beta,14-beta-andostane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-04-06 EP disclosed
EP-0590271-A2 17-Aryl and 17-heterocyclyl-14beta-5alpha-androstane, androstene and androstadiene derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-04-06 EP 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 (4 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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors NRAS, BRAF, MAPK1 HRH3 980/4885LTA4H 3033/4885KDM4E 660/4885
US-20050282856-A1 3-Cyano-quinoline derivatives MKI67, CCNA1, CCNT1 HRH3 961/4885LTA4H 2785/4885KDM4E 1779/4885
US-20060089382-A1 7-[3-(4-acetylpiperazin-1-yl)propoxy]-3-cyano-6-methoxy-4-[4-(3-methoxyprop-1-ynyl)-2,3-methylenedioxyanilino]quinoline; potent anti-tumour activity; inhibition of MEK enzymes involved in the MAPK kinase pathway, inhibiting the non-receptor tyrosine-specific protein kinases MAPK1, MAPK3, MAPK4 HRH3 1491/4885LTA4H 3216/4885KDM4E 1305/4885
US-20070191346-A1 3-Cyano-quinoline derivatives MKI67, CCNA1, CCNT1 HRH3 961/4885LTA4H 2785/4885KDM4E 1779/4885

“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.