SCHEMBL5522748

SCHEMBL5522748

N#Cc1cccc(Cn2nc(C3CCC3)c3c4c(c(=O)[nH]c32)CCCC4)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 5/20 0.40
ADORA1 P30542 6/20 0.38
ADORA3 P0DMS8 3/20 0.38
PARP1 P09874 2/20 0.37
TNK2 Q07912 1/20 0.37
TNK1 Q13470 1/20 0.37
AURKA O14965 1/20 0.37
ITK Q08881 1/20 0.37
ADORA2A P29274 1/20 0.36
NR3C1 P04150 1/20 0.36
HTR2C P28335 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DRD4 P21917 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
CHRM3 P20309 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
SCHEMBL5528810 0.89 HTR2C (0.43) ADORA1ADORA3PARP1TNK1ADORA2A
SCHEMBL5527853 0.86 ADORA1 (0.40) ADORA1ADORA3PARP1ADORA2A
SCHEMBL5530037 0.85 PARP1 (0.47) ADORA1ADORA3PARP1ADORA2A
SCHEMBL5532007 0.85 ADORA1 (0.39) ADORA1ADORA3PARP1ADORA2A
SCHEMBL5528036 0.83 PARP1 (0.42) ADORA1ADORA3PARP1ADORA2A
SCHEMBL5533962 0.83 PARP1 (0.50) ADORA1ADORA3PARP1ADORA2A
SCHEMBL5527287 0.83 PARP1 (0.48) ADORA1ADORA3PARP1ADORA2A
SCHEMBL5522449 0.81 ADORA1 (0.38) ADORA1ADORA3PARP1ADORA2A
SCHEMBL5522756 0.81 CLPP (0.39) CLPPPARP1TNK2TNK1AURKA
SCHEMBL5517383 0.80 ADORA1 (0.39) ADORA1ADORA3PARP1ADORA2AHTR2C

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 CLPP 1469/4885ADORA1 3756/4885ADORA3 3786/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 CLPP 1469/4885ADORA1 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.