SCHEMBL5526558

SCHEMBL5526558

Cn1nc([C@H]2CCCN2CC2CC2)c2c3c(c(=O)[nH]c21)CCCC3

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.51
HRH3 Q9Y5N1 1/20 0.32
PARP14 Q460N5 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
SCHEMBL5522611 1.00 PARP1 (0.51) PARP1HRH3PARP14
SCHEMBL5522616 1.00 PARP1 (0.51) PARP1HRH3PARP14
SCHEMBL5526084 0.97 PARP1 (0.50) PARP1PARP14
SCHEMBL14836676 0.88 PARP1 (0.52) PARP1HRH3
SCHEMBL5529551 0.88 PARP1 (0.52) PARP1HRH3
SCHEMBL5529548 0.88 PARP1 (0.52) PARP1HRH3
SCHEMBL5521483 0.87 PARP1 (0.39) PARP1
SCHEMBL5525412 0.86 PARP1 (0.38) PARP1
SCHEMBL4761493 0.86 PARP1 (0.50) PARP1HRH3
SCHEMBL4761495 0.86 PARP1 (0.50) PARP1HRH3

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 1/4885HRH3 3706/4885PARP14 10/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885HRH3 3706/4885PARP14 10/4885

“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.