SCHEMBL5526082

SCHEMBL5526082

CNCc1ccc(Cn2nc(C3CCC3)c3c4c(c(=O)[nH]c32)CCCC4)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.45
ADORA1 P30542 5/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 1/20 0.35

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
SCHEMBL5530037 0.91 PARP1 (0.47) PARP1ADORA1ADORA3ADORA2A
SCHEMBL5517980 0.90 PARP1 (0.46) PARP1ADORA1ADORA3ADORA2A
SCHEMBL5522404 0.90 PARP1 (0.46) PARP1ADORA1ADORA3ADORA2A
SCHEMBL5529526 0.89 PARP1 (0.48) PARP1ADORA1ADORA3ADORA2A
SCHEMBL5521518 0.89 PARP1 (0.47) PARP1ADORA1ADORA3ADORA2A
SCHEMBL5530509 0.88 PARP1 (0.48) PARP1ADORA1ADORA3ADORA2A
SCHEMBL5521723 0.87 PARP1 (0.50) PARP1ADORA1ADORA3ADORA2A
SCHEMBL5517383 0.86 ADORA1 (0.39) PARP1ADORA1ADORA3ADORA2A
SCHEMBL5522593 0.86 PARP1 (0.38) PARP1ADORA1ADORA3ADORA2A
SCHEMBL5534187 0.86 PARP1 (0.38) PARP1ADORA1ADORA3ADORA2A

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 1/4885ADORA1 3756/4885ADORA3 3786/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885ADORA1 3756/4885ADORA3 3786/4885

“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.