SCHEMBL3059643

SCHEMBL3059643

N#Cc1cccc(-c2ccncc2C(O)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.49
KCNH2 Q12809 2/20 0.49
SLC22A12 Q96S37 1/20 0.47
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 1/20 0.41
CLK4 Q9HAZ1 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
NEK1 Q96PY6 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA4 P43681 1/20 0.40
IDO1 P14902 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
SCHEMBL3070210 0.89 KCNA5 (0.47) KCNA5KCNH2SLC22A12CYP1A2CYP3A4
SCHEMBL3069611 0.89 SLC22A12 (0.45) KCNA5KCNH2SLC22A12CYP1A2CYP3A4
SCHEMBL3059650 0.89 KCNA5 (0.51) KCNA5KCNH2SLC22A12CYP1A2CYP3A4
SCHEMBL3064453 0.88 KCNA5 (0.53) KCNA5KCNH2SLC22A12CYP1A2CYP3A4
SCHEMBL3054492 0.87 KCNA5 (0.47) KCNA5KCNH2SLC22A12CYP1A2CYP3A4
SCHEMBL3063756 0.86 DGAT2 (0.43) KCNA5KCNH2SLC22A12CYP1A2CYP3A4
SCHEMBL3064110 0.86 SLC22A12 (0.45) KCNA5KCNH2SLC22A12CYP1A2CYP3A4
SCHEMBL3064341 0.86 SLC22A12 (0.47) KCNA5KCNH2SLC22A12CYP1A2CYP3A4
SCHEMBL3062551 0.85 DGAT2 (0.45) KCNA5KCNH2SLC22A12CYP1A2CYP3A4
SCHEMBL3069608 0.85 KCNA5 (0.44) KCNA5KCNH2SLC22A12CYP1A2CYP3A4

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-101128431-A Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN disclosed
CN-101128428-A Pyridine derivatives as potassium 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 KCNA5 25/4885KCNH2 11/4885SLC22A12 1157/4885
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers KCNJ2, KCNQ2, KCNQ1 KCNA5 27/4885KCNH2 11/4885SLC22A12 1756/4885

“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.