SCHEMBL4724940

SCHEMBL4724940

CCn1nc(C2CCCN2C(=O)OCc2ccccc2)c2c3c(c(=O)[nH]c21)CCCC3

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.44
SPR P35270 2/20 0.43
PARP1 P09874 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
CTSK P43235 2/20 0.41
PREP P48147 1/20 0.40
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL4765823 0.90 PARP1 (0.41) AADATSPRPARP1TMEM97SIGMAR1
SCHEMBL15703661 0.84 PARP1 (0.39) AADATSPRPARP1TSHRKDM4E
SCHEMBL5522496 0.76 PARP1 (0.44) PARP1TSHRKDM4E
SCHEMBL4765916 0.76 JAK2 (0.49) SPRPARP1
SCHEMBL4724691 0.75 JAK2 (0.47) PARP1
SCHEMBL4721036 0.75 PARP1 (0.47) PARP1
SCHEMBL4722877 0.74 PARP1 (0.48) SPRPARP1
SCHEMBL5530027 0.73 PARP1 (0.39) PARP1
SCHEMBL5527299 0.73 PARP1 (0.39) PARP1
SCHEMBL5528343 0.73 PARP1 (0.39) PARP1

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 12 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
EP-1989204-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2008-11-12 EP claimed
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-10-25 US claimed
WO-2007095628-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-08-23 WO 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
EP-1989204-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2008-11-12 EP disclosed
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-10-25 US disclosed
WO-2007095628-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-08-23 WO 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 AADAT 3616/4885SPR 1959/4885PARP1 1/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 AADAT 3616/4885SPR 1959/4885PARP1 1/4885

“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.