SCHEMBL667729

SCHEMBL667729

CCc1cc2cc(Br)ccc2nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KMT2A Q03164 3/20 0.42
PSMB5 P28074 2/20 0.41
BACE1 P56817 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.37
ALDH1A1 P00352 4/20 0.36
GFER P55789 1/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 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
SCHEMBL31571092 0.86 KMT2A (0.50) GRM1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL379382 0.86 KMT2A (0.50) GRM1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1767828 0.84 KMT2A (0.61) GRM1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1767710 0.83 ALDH1A1 (0.49) GRM1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25587992 0.82 GRM1 (0.48) GRM1RXFP1KMT2APSMB5MAPT
SCHEMBL8354251 0.81 GRM1 (0.50) GRM1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12000236 0.81 MAPT (0.58) GRM1CYP1A2RXFP1KMT2AMAPT
SCHEMBL23151910 0.79 GRM1 (0.42) GRM1RXFP1MAPTHTTALDH1A1
SCHEMBL8353989 0.79 KMT2A (0.42) GRM1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12345561 0.79 MAPT (0.47) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1

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 36 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
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
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
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-20120046274-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS MABIRE DOMINIQUE JEAN-PIERRE (FR) 2012-02-23 US disclosed
US-8071612-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2011-12-06 US disclosed
CN-1910154-B Quinoline derivatives as mycobacterial inhibitors JANSSEN PHARMACEUTICA NV 2011-08-17 CN disclosed
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US 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
CN-1934094-A Diaryl substituted heterocyclic 5-membered ring derivatives BANYU PHARMA CO LTD (JP) 2007-03-21 CN disclosed
WO-2007014941-A2 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-08 WO disclosed
CN-1910154-A Quinoline derivatives as mycobacterial inhibitors JANSSEN PHARMACEUTICA NV (BE) 2007-02-07 CN disclosed
CN-1882547-A 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(adp-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2006-12-20 CN disclosed
EP-1713776-A1 QUINOLINE DERIVATIVES FOR USE AS MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-25 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-2005075428-A1 QUINOLINE DERIVATIVES FOR USE AS MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-18 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-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 (4 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 3930/4885CYP1A2 665/4885CYP2D6 197/4885
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 GRM1 2/4885CYP1A2 975/4885CYP2D6 672/4885
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 GRM1 4270/4885CYP1A2 587/4885CYP2D6 142/4885
US-20120046274-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 GRM1 4270/4885CYP1A2 587/4885CYP2D6 142/4885

“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.