SCHEMBL5529532

SCHEMBL5529532

O=c1[nH]c2c(c(C3=CC=C3)nn2Cc2ccc(CNC3CC3)cc2)c2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.44
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL5530510 0.97 PARP1 (0.44) PARP1MEN1KMT2AHRH3
SCHEMBL5521522 0.97 PARP1 (0.44) PARP1MEN1KMT2AHRH3
SCHEMBL5521727 0.96 PARP1 (0.46) PARP1HRH3HDAC1
SCHEMBL5533964 0.92 PARP1 (0.50) PARP1
SCHEMBL5527289 0.89 PARP1 (0.48) PARP1
SCHEMBL5526086 0.87 PARP1 (0.42) PARP1MEN1KMT2A
SCHEMBL5517985 0.86 PARP1 (0.43) PARP1MEN1KMT2A
SCHEMBL5522409 0.86 PARP1 (0.43) PARP1MEN1KMT2A
SCHEMBL5517389 0.84 PARP1 (0.39) PARP1MEN1KMT2A
SCHEMBL5522598 0.83 PARP1 (0.40) PARP1MEN1KMT2AHRH3

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 1/4885MEN1 2568/4885KMT2A 1983/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885MEN1 2568/4885KMT2A 1983/4885

“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.