SCHEMBL3074853

SCHEMBL3074853

N#Cc1cccc(C(O)c2ccncc2C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.38
KCNA5 P22460 4/20 0.37
CYP19A1 P11511 1/20 0.36
ERN1 O75460 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
MGLL Q99685 1/20 0.35
KCNH2 Q12809 2/20 0.35
GRM4 Q14833 1/20 0.34
ROCK2 O75116 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
ENPP2 Q13822 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
GSK3B P49841 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL3075742 0.81 SMN1; SMN2 (0.43) VNN1KCNA5CYP19A1SLC22A12MGLL
SCHEMBL3064355 0.79 KCNA5 (0.39) VNN1KCNA5CYP19A1SLC22A12MGLL
SCHEMBL9197340 0.76 SMN1; SMN2 (0.57) VNN1KCNA5CYP19A1MGLLKCNH2
SCHEMBL4380408 0.75 CYP19A1 (0.42) VNN1KCNA5CYP19A1GRM4ENPP2
SCHEMBL3068700 0.72 SLC22A12 (0.49) KCNA5SLC22A12KCNH2CYP11B1CYP11B2
SCHEMBL13138797 0.71 KCNA5 (0.39) VNN1KCNA5KCNH2LRRK2
SCHEMBL3059643 0.70 KCNA5 (0.49) KCNA5SLC22A12KCNH2
SCHEMBL3064453 0.69 KCNA5 (0.53) KCNA5SLC22A12KCNH2CYP11B1CYP11B2
SCHEMBL3068022 0.69 VNN1 (0.48) VNN1GSK3B
SCHEMBL1507787 0.68 TSHR (0.48) MGLLGRM4ENPP2GSK3B

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 8 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-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-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
WO-2006091769-A1 NOVEL QUINOLINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 WO disclosed
WO-2006091800-A2 NOVEL PYRIDINE 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 VNN1 2609/4885KCNA5 25/4885CYP19A1 3995/4885
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers KCNJ2, KCNQ2, KCNQ1 VNN1 1780/4885KCNA5 27/4885CYP19A1 3874/4885

“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.