SCHEMBL5533969

SCHEMBL5533969

CC(C)N1CCC(c2nn(C)c3[nH]c(=O)c4c(c23)CCCC4)C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.52
KAT2B Q92831 1/20 0.34
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE9A O76083 1/20 0.30

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
SCHEMBL5519261 0.94 PARP1 (0.51) PARP1KAT2BALDH1A1GAATHRB
SCHEMBL5522630 0.93 PARP1 (0.54) PARP1KAT2BALDH1A1GAATHRB
SCHEMBL5523619 0.91 PARP1 (0.56) PARP1ALDH1A1GAATHRBL3MBTL1
SCHEMBL5522478 0.86 PARP1 (0.56) PARP1
SCHEMBL5523765 0.83 PARP1 (0.59) PARP1
SCHEMBL5532024 0.83 PARP1 (0.65) PARP1
SCHEMBL5525024 0.83 PARP1 (0.55) PARP1
SCHEMBL5520363 0.82 PARP1 (0.52) PARP1ALDH1A1THRBL3MBTL1
SCHEMBL5527431 0.82 PARP1 (0.52) PARP1
SCHEMBL15703696 0.82 PARP1 (0.52) PARP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-10-25 US claimed
EP-2468748-B1 Pyrazoloquinolones are potent parp inhibitors ABBVIE INC (US) 2016-05-25 EP disclosed
US-20140213610-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. (US) 2014-07-31 US disclosed
EP-1989204-B1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC (US) 2014-05-21 EP disclosed
US-8546368-B2 Pyrazoloquinolones are potent PARP inhibitors ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2468748-A1 Pyrazoloquinolones are potent parp inhibitors Abbott Laboratories (US) 2012-06-27 EP disclosed
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-10-25 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 (2 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-20140213610-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885KAT2B 1232/4885ALDH1A1 537/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885KAT2B 1232/4885ALDH1A1 537/4885

“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.