SCHEMBL669570

SCHEMBL669570

CCc1cc2cc(Br)ccc2nc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.50
PSMB5 P28074 1/20 0.39
BACE1 P56817 1/20 0.39
KCNH2 Q12809 8/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR1I2 O75469 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CACNA1C Q13936 1/20 0.36
PRNP P04156 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15359030 0.87 GRM1 (0.39) GRM1BACE1KCNH2NR1I2HTR1A
SCHEMBL13166990 0.87 GRM1 (0.41) GRM1BACE1L3MBTL1CYP1A2CYP2D6
SCHEMBL23175554 0.86 ALDH1A1 (0.40) GRM1BACE1KCNH2RXFP1NR1I2
SCHEMBL31125772 0.86 BACE1 (0.41) GRM1BACE1KCNH2NR1I2HTR1A
SCHEMBL23151892 0.83 GRM1 (0.42) GRM1KCNH2L3MBTL1RXFP1CACNA1C
SCHEMBL296886 0.81 KCNH2 (0.42) KCNH2NR1I2HTR1AHTR2ASLC6A3
SCHEMBL20776919 0.81 KCNH2 (0.46) GRM1KCNH2NR1I2HTR1AHTR2A
SCHEMBL6523099 0.80 KCNH2 (0.39) GRM1BACE1KCNH2NR1I2HTR1A
SCHEMBL19330207 0.80 KCNH2 (0.43) GRM1KCNH2L3MBTL1NR1I2HTR1A
SCHEMBL12277874 0.80 KCNH2 (0.37) GRM1PSMB5KCNH2L3MBTL1CYP1A2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687277-B1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-04 EP disclosed
EP-1694653-B1 6-(HETERO-)CYCLOHEXYLALKYL SUBSTITUTED 2-QUINOLINONES/2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-20 EP disclosed
US-9115084-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2015-08-25 US disclosed
EP-1709012-B1 6-SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE)POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-29 EP disclosed
US-8802671-B2 Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2014-08-12 US disclosed
US-8802671-B2 Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2014-08-12 US disclosed
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-12 US disclosed
CN-102206180-B Substituted 6-cyclohexylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA NV 2013-05-29 CN disclosed
US-8450486-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-28 US disclosed
EP-1912648-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2013-04-10 EP disclosed
US-20070072842-A1 6-Alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(adpribose) polymerase inhibitors JANSSEN-CILAG (FR) 2007-03-29 US disclosed
WO-2007014941-A2 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-08 WO disclosed
CN-1890225-A Substituted 6-cyclohexylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly (ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2007-01-03 CN disclosed
EP-1709012-A1 6-SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE)POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-11 EP disclosed
EP-1694653-A1 SUBSTITUTED 6-CYCLOHEXYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-30 EP disclosed
EP-1687277-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-09 EP disclosed
WO-2005058843-A1 SUBSTITUTED 6-CYCLOHEXYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-30 WO disclosed
WO-2005054201-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-16 WO disclosed
WO-2005054210-A1 6-SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-16 WO disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 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-20070072842-A1 6-Alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(adpribose) polymerase inhibitors PARP1, PARP6, PARP2 GRM1 3930/4885PSMB5 1685/4885BACE1 2506/4885
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 GRM1 4270/4885PSMB5 3084/4885BACE1 2216/4885

“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.