SCHEMBL3065142

SCHEMBL3065142

N#Cc1cccc(-c2ccncc2CO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.49
ADRA2C P18825 1/20 0.49
KCNA5 P22460 2/20 0.47
KCNH2 Q12809 2/20 0.47
CLK4 Q9HAZ1 2/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
IDO1 P14902 2/20 0.44
NEK1 Q96PY6 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA4 P43681 1/20 0.44
GRM5 P41594 1/20 0.44
DGAT2 Q96PD7 1/20 0.44
CYP2D6 P10635 2/20 0.43

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
SCHEMBL6166155 0.80 ADRA2C (0.68) SLC22A12ADRA2CKCNA5CLK4CYP1A2
SCHEMBL9434562 0.80 SLC22A12 (0.47) SLC22A12ADRA2CKCNA5KCNH2CLK4
SCHEMBL5108906 0.78 GPBAR1 (0.48) KCNA5KCNH2CYP1A2CYP3A4CYP2C19
SCHEMBL3068153 0.75 SLC22A12 (0.50) SLC22A12KCNA5KCNH2CLK4CYP1A2
SCHEMBL5557829 0.75 CYP11B1 (0.69) SLC22A12KCNA5KCNH2CLK4CYP1A2
SCHEMBL3068700 0.74 SLC22A12 (0.49) SLC22A12ADRA2CKCNA5KCNH2CLK4
SCHEMBL3064355 0.73 KCNA5 (0.39) SLC22A12KCNA5KCNH2CHRNB2CHRNA5
SCHEMBL3054492 0.72 KCNA5 (0.47) SLC22A12KCNA5KCNH2CLK4CYP1A2
SCHEMBL3059643 0.72 KCNA5 (0.49) SLC22A12ADRA2CKCNA5KCNH2CLK4
SCHEMBL3070252 0.72 SLC22A12 (0.47) SLC22A12KCNA5KCNH2CLK4CYP1A2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128431-B Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV 2011-05-25 CN disclosed
US-7790895-B2 Quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
US-7790895-B2 Quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
US-7790895-B2 Quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
US-7671065-B2 Pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-02 US disclosed
US-7671065-B2 Pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-02 US disclosed
US-7671065-B2 Pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-02 US disclosed
CN-101128428-A Pyridine derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN disclosed
CN-101128431-A Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN disclosed
EP-1858853-A2 NOVEL PYRIDINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-28 EP disclosed
EP-1853564-A1 NOVEL QUINOLINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS Janssen Pharmaceutica N.V. (BE) 2007-11-14 EP disclosed
US-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
WO-2006091800-A2 NOVEL PYRIDINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 WO disclosed
WO-2006091769-A1 NOVEL QUINOLINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 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 (2 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-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers KCNQ1, KCNQ2, KCNJ2 SLC22A12 1157/4885ADRA2C 330/4885KCNA5 25/4885
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers KCNJ2, KCNQ2, KCNQ1 SLC22A12 1756/4885ADRA2C 419/4885KCNA5 27/4885

“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.