SCHEMBL3064732

SCHEMBL3064732

CC(O)c1cnccc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.33
AXL P30530 1/20 0.33
CYP11B2 P19099 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
BLM P54132 1/20 0.33
CASP7 P55210 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
P2RX4 Q99571 1/20 0.32
GSK3B P49841 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3064005 0.84 RPS6KA3 (0.35) RPS6KA3AXLSMN1; SMN2MAPTCCNC
SCHEMBL782704 0.83 RPS6KA3 (0.37) RPS6KA3AXLCYP11B2SMN1; SMN2MAPT
SCHEMBL5700218 0.83 RPS6KA3 (0.39) RPS6KA3AXLSMN1; SMN2MAPTCCNC
SCHEMBL29691040 0.83 RPS6KA3 (0.39) RPS6KA3AXLSMN1; SMN2MAPTCCNC
SCHEMBL26271969 0.79 AXL (0.37) AXLSMN1; SMN2MAPTCCNCCDK8
SCHEMBL14614970 0.77 GAA (0.44) RPS6KA3CYP11B2SMN1; SMN2MAPTCYP3A4
SCHEMBL25493831 0.76 TSHR (0.38) AXLSMN1; SMN2MAPTTP53CYP3A4
SCHEMBL9846996 0.75 GAA (0.43) RPS6KA3AXLCYP11B2MAPTCYP3A4
SCHEMBL17318479 0.75 GAA (0.39) RPS6KA3CYP11B2SMN1; SMN2MAPTTP53
SCHEMBL23489766 0.75 GAA (0.39) RPS6KA3CYP11B2SMN1; SMN2MAPTTP53

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-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 RPS6KA3 1399/4885AXL 4403/4885CYP11B2 2459/4885
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers KCNJ2, KCNQ2, KCNQ1 RPS6KA3 1210/4885AXL 3679/4885CYP11B2 1392/4885

“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.