SCHEMBL8084564

SCHEMBL8084564

CCc1cc2c(OC)cc(Br)cc2nc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.41
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
GRM1 Q13255 1/20 0.35
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
PGK1 P00558 1/20 0.34
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ELANE P08246 1/20 0.33
ERN1 O75460 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SLC2A1 P11166 1/20 0.33
STING1 Q86WV6 1/20 0.33
GAA P10253 1/20 0.33
PIM1 P11309 1/20 0.33
PRNP P04156 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL8070842 0.84 NQO2 (0.40) NQO2CNR2GPR55GRM1PDE3B
SCHEMBL8074487 0.79 ALDH1A1 (0.39) GRM1PDE3BPDE3AALDH1A1KDM4E
SCHEMBL8071245 0.79 CRHR1 (0.35) GRM1PDE3BPDE3AP2RX7ALDH1A1
SCHEMBL8078338 0.79 PDE4A (0.37) GRM1PDE3BPDE3ASTING1MAPT
SCHEMBL8161360 0.78 LMNA (0.45) GRM1ALDH1A1KDM4EHTTSTING1
SCHEMBL31423019 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EGAAMAPT
SCHEMBL13166990 0.75 GRM1 (0.41) GRM1ALDH1A1KDM4EHTTRXFP1
SCHEMBL13230278 0.74 KDM4E (0.34) GRM1PDE3BPDE3AALDH1A1KDM4E
SCHEMBL669570 0.72 GRM1 (0.50) GRM1ALDH1A1PRNPRXFP1
SCHEMBL26547646 0.69 NQO2 (0.50) NQO2PDE3BPDE3APGK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778966-B2 Quinolinone derivatives as PARP and tank inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-07-15 US disclosed
US-8778966-B2 Quinolinone derivatives as PARP and tank inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-07-15 US disclosed
US-8404713-B2 Quinolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-03-26 US disclosed
US-8404713-B2 Quinolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-03-26 US disclosed
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS VIALARD JORGE EDUARDO (BE) 2013-01-17 US disclosed
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS VIALARD JORGE EDUARDO (BE) 2013-01-17 US disclosed
US-8299256-B2 Quinolinone derivatives as PARP and TANK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-10-30 US disclosed
US-8299256-B2 Quinolinone derivatives as PARP and TANK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-10-30 US disclosed
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 US disclosed
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 US disclosed
US-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-07-01 US disclosed
US-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-07-01 US disclosed
WO-2009053373-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-30 WO disclosed
WO-2008107478-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-12 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 (3 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-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 NQO2 23/4885CNR2 2687/4885GPR55 2400/4885
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 NQO2 23/4885CNR2 2687/4885GPR55 2400/4885
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 NQO2 18/4885CNR2 2001/4885GPR55 2435/4885

“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.