SCHEMBL13166997

SCHEMBL13166997

CCc1cc2ccc(CN3CCN(c4ncc(C(=O)Cl)cn4)CC3)cc2[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.64
PARP2 Q9UGN5 14/20 0.64
KCNH2 Q12809 4/20 0.64
PARP6 Q2NL67 6/20 0.49
PARP3 Q9Y6F1 6/20 0.49
TIPARP Q7Z3E1 1/20 0.49
TNKS O95271 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL8078589 0.91 PARP1 (0.67) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL8079993 0.91 PARP1 (0.64) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL13167031 0.88 PARP1 (0.62) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL13167077 0.86 PARP1 (0.63) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL8067063 0.85 PARP1 (0.67) PARP1PARP2KCNH2
SCHEMBL8076822 0.78 PARP1 (0.68) PARP1PARP2KCNH2
SCHEMBL8070707 0.77 PARP1 (0.69) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL30667687 0.77 PARP1 (1.00) PARP1PARP2KCNH2
SCHEMBL8065074 0.77 PARP1 (0.65) PARP1PARP2KCNH2
SCHEMBL8071284 0.77 PARP1 (0.71) PARP1PARP2KCNH2PARP6PARP3

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 4 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

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.