SCHEMBL8077397

SCHEMBL8077397

CCc1cc2ccc(CN3CCN(CCc4ccccc4)CC3)cc2[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.60
PARP2 Q9UGN5 7/20 0.60
KCNH2 Q12809 4/20 0.60
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
SLC1A2 P43004 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL8071284 0.85 PARP1 (0.71) PARP1PARP2KCNH2KMT2AMEN1
SCHEMBL8065074 0.83 PARP1 (0.65) PARP1PARP2KCNH2
SCHEMBL8077817 0.83 PARP1 (0.61) PARP1PARP2KCNH2
SCHEMBL8076677 0.83 PARP1 (0.55) PARP1PARP2KCNH2KMT2AMEN1
SCHEMBL13536777 0.82 PARP1 (0.53) PARP1PARP2KCNH2KMT2AMEN1
SCHEMBL8074912 0.81 PARP1 (0.56) PARP1PARP2KCNH2KMT2AMEN1
SCHEMBL8070885 0.81 PARP1 (0.63) PARP1PARP2KCNH2
SCHEMBL8075821 0.81 PARP1 (0.68) PARP1PARP2KCNH2
SCHEMBL8075232 0.80 PARP1 (0.56) PARP1PARP2KCNH2
Hydrochloric Acid SCHEMBL31571003 0.80 PARP1 (0.62) PARP1PARP2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2009053373-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-30 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 (1 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-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885KCNH2 2542/4885

“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.