SCHEMBL5517985

SCHEMBL5517985

CC(C)NCc1ccc(Cn2nc(C3=CC=C3)c3c4c(c(=O)[nH]c32)CCCC4)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.43
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL5526086 0.90 PARP1 (0.42) PARP1MEN1KMT2AHPGDPDE4A
SCHEMBL5522409 0.89 PARP1 (0.43) PARP1MEN1KMT2AHPGDPDE4A
SCHEMBL5529532 0.86 PARP1 (0.44) PARP1MEN1KMT2A
SCHEMBL5517389 0.85 PARP1 (0.39) PARP1MEN1KMT2APDE4APDE4B
SCHEMBL5521522 0.85 PARP1 (0.44) PARP1MEN1KMT2A
SCHEMBL5530510 0.85 PARP1 (0.44) PARP1MEN1KMT2A
SCHEMBL5534190 0.84 PARP1 (0.40) PARP1MEN1KMT2APDE4APDE4B
SCHEMBL5522598 0.84 PARP1 (0.40) PARP1MEN1KMT2APDE4APDE4B
SCHEMBL5521727 0.84 PARP1 (0.46) PARP1
SCHEMBL5523148 0.83 PARP1 (0.38) PARP1MEN1KMT2APDE4APDE4B

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.