SCHEMBL8070809

SCHEMBL8070809

COc1nc2cc(C(C)O)ccc2cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.42
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
RORC P51449 4/20 0.35
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
ABCB11 O95342 1/20 0.33
PTGS2 P35354 3/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
PTGS1 P23219 2/20 0.33
TSHR P16473 2/20 0.33
CDC42 P60953 1/20 0.33
RAC1 P63000 1/20 0.33
CYP1A2 P05177 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
CEPT1 Q9Y6K0 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 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
SCHEMBL8064614 0.89 CYP17A1 (0.38) RORCABCB11PTGS2AKR1C3AKR1C2
SCHEMBL8082935 0.84 RORC (0.33) RORCABCB11
SCHEMBL8155683 0.84 UGT2B7 (0.42) UGT2B7CYP11B1CYP11B2PLGPLAU
SCHEMBL8060208 0.81 GRM1 (0.41) UGT2B7CYP11B1CYP11B2RORCPLG
SCHEMBL8156719 0.81 ALDH1A1 (0.36) TSHRCYP1A2
SCHEMBL31571076 0.81 GRM1 (0.41) UGT2B7CYP11B1CYP11B2RORCPLG
SCHEMBL13167016 0.78 DHODH (0.39) RORCLMNA
SCHEMBL30133970 0.78 RORC (0.40) UGT2B7CYP11B1CYP11B2RORCTSHR
SCHEMBL13597758 0.76 CYP1A2 (0.48) TSHRCYP1A2LMNAMAPT
SCHEMBL379575 0.73 BACE1 (0.43) CYP1A2

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 UGT2B7 1827/4885CYP11B1 3342/4885CYP11B2 3779/4885
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 UGT2B7 1827/4885CYP11B1 3342/4885CYP11B2 3779/4885
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 UGT2B7 738/4885CYP11B1 635/4885CYP11B2 750/4885

“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.