SCHEMBL5520231

SCHEMBL5520231

CC(C)CNCc1ccc(-c2nn(C)c3[nH]c(=O)c4c(c23)CCCC4)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.61
OPRK1 P41145 6/20 0.43
OPRM1 P35372 4/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL5526545 0.89 PARP1 (0.59) PARP1OPRK1OPRM1KCNH2KDM4E
SCHEMBL5529512 0.89 PARP1 (0.65) PARP1KDM4EHRH3
SCHEMBL5525259 0.87 PARP1 (0.62) PARP1KDM4EALDH1A1LMNAHTT
SCHEMBL5524885 0.85 PARP1 (0.60) PARP1KDM4EALDH1A1LMNAHTT
SCHEMBL5527848 0.82 PARP1 (0.65) PARP1KDM4EALDH1A1LMNAHTT
SCHEMBL5530505 0.82 PARP1 (0.59) PARP1KDM4EHRH3
SCHEMBL4791264 0.82 PARP1 (0.61) PARP1KDM4EHRH3
SCHEMBL5520399 0.82 PARP1 (0.61) PARP1KDM4EHRH3
SCHEMBL5520388 0.82 PARP1 (0.55) PARP1KDM4EALDH1A1
SCHEMBL5525907 0.82 PARP1 (0.70) PARP1KDM4EHRH3

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
EP-1989204-B1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC (US) 2014-05-21 EP claimed
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
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 (1 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-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885OPRK1 2401/4885OPRM1 3891/4885

“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.