SCHEMBL3063756

SCHEMBL3063756

COc1ccc(C(O)c2cnccc2-c2cccc(C#N)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.43
CLK4 Q9HAZ1 4/20 0.43
DYRK1A Q13627 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C19 P33261 4/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
GLA P06280 3/20 0.41
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
KCNA5 P22460 2/20 0.40
KCNH2 Q12809 2/20 0.40
RPS6KA3 P51812 1/20 0.39
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
PGGT1B P53609 2/20 0.39

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
SCHEMBL3062551 0.90 DGAT2 (0.45) DGAT2CLK4DYRK1ASLC22A12CYP1A2
SCHEMBL3069611 0.88 SLC22A12 (0.45) CLK4DYRK1ASLC22A12CYP1A2CYP3A4
SCHEMBL3064390 0.86 CYP1A2 (0.46) DGAT2CLK4SLC22A12CYP1A2CYP3A4
SCHEMBL3059643 0.86 KCNA5 (0.49) DGAT2CLK4SLC22A12CYP1A2CYP3A4
SCHEMBL3070210 0.85 KCNA5 (0.47) CLK4SLC22A12CYP1A2CYP3A4CYP2D6
SCHEMBL3059650 0.85 KCNA5 (0.51) CLK4SLC22A12CYP1A2CYP3A4CYP2D6
SCHEMBL3064110 0.85 SLC22A12 (0.45) DGAT2CLK4SLC22A12CYP1A2CYP3A4
SCHEMBL3064341 0.85 SLC22A12 (0.47) CLK4SLC22A12CYP1A2CYP3A4CYP2D6
SCHEMBL3059538 0.85 KCNA5 (0.41) DGAT2CLK4DYRK1ASLC22A12CYP1A2
SCHEMBL3059630 0.83 CYP1A2 (0.47) CLK4SLC22A12CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 DGAT2 1532/4885CLK4 1522/4885DYRK1A 2839/4885
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers KCNJ2, KCNQ2, KCNQ1 DGAT2 2434/4885CLK4 2065/4885DYRK1A 2200/4885

“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.