SCHEMBL5522756

SCHEMBL5522756

N#Cc1cccc(Cn2nc(C3=CC=C3)c3c4c(c(=O)[nH]c32)CCCC4)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 6/20 0.39
PARP1 P09874 8/20 0.37
NLRP3 Q96P20 1/20 0.36
AURKA O14965 1/20 0.36
ITK Q08881 1/20 0.36
HTR2C P28335 1/20 0.36
TNK2 Q07912 1/20 0.34
TNK1 Q13470 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL5528814 0.90 HTR2C (0.43) PARP1HTR2CTNK2TNK1MEN1
SCHEMBL5527856 0.86 PARP1 (0.39) PARP1MEN1KMT2A
SCHEMBL5530044 0.85 PARP1 (0.48) PARP1
SCHEMBL5532009 0.84 PARP1 (0.37) PARP1MEN1KMT2A
SCHEMBL5528042 0.84 PARP1 (0.41) PARP1MEN1KMT2A
SCHEMBL5519254 0.82 PARP1 (0.49) PARP1MEN1KMT2A
SCHEMBL5533964 0.81 PARP1 (0.50) PARP1
SCHEMBL5522456 0.81 PARP1 (0.39) PARP1MEN1KMT2A
SCHEMBL5527289 0.81 PARP1 (0.48) PARP1
SCHEMBL5522748 0.81 CLPP (0.40) CLPPPARP1AURKAITKHTR2C

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 1469/4885PARP1 1/4885NLRP3 850/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 CLPP 1469/4885PARP1 1/4885NLRP3 850/4885

“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.