SCHEMBL5532476

SCHEMBL5532476

CN(C)CCCn1nc(C2CCC2)c2c3c(c(=O)[nH]c21)CCCC3

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.43
RAD52 P43351 1/20 0.36
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
ADRA1B P35368 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CTSK P43235 1/20 0.31
TP53 P04637 1/20 0.30
GLA P06280 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
SCHEMBL5520358 0.85 PARP1 (0.40) PARP1RAD52
SCHEMBL5521530 0.85 PARP1 (0.42) PARP1
SCHEMBL5532439 0.85 PARP1 (0.43) PARP1
SCHEMBL4764669 0.83 PARP1 (0.41) PARP1HRH3
SCHEMBL5527430 0.83 PARP1 (0.41) PARP1
SCHEMBL5529994 0.83 PARP1 (0.41) PARP1
SCHEMBL4764199 0.83 PARP1 (0.40) PARP1HRH3CTSK
SCHEMBL5528146 0.83 PARP1 (0.40) PARP1
SCHEMBL5522646 0.83 PARP1 (0.40) PARP1
SCHEMBL5520160 0.82 PARP1 (0.39) PARP1

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 1/4885RAD52 88/4885ADRA1A 3641/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885RAD52 88/4885ADRA1A 3641/4885

“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.