SCHEMBL5529548

SCHEMBL5529548

CCCN1CCC[C@H]1c1nn(C)c2[nH]c(=O)c3c(c12)CCCC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.52
HRH3 Q9Y5N1 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRB2 P07550 1/20 0.32
THRB P10828 1/20 0.32
DRD2 P14416 1/20 0.32
ALOX15 P16050 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
HTR2A P28223 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD3 P35462 1/20 0.32
GRM5 P41594 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BLM P54132 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL14836676 1.00 PARP1 (0.52) PARP1HRH3LMNATSHRMEN1
SCHEMBL5529551 1.00 PARP1 (0.52) PARP1HRH3LMNATSHRMEN1
SCHEMBL5522490 0.97 PARP1 (0.51) PARP1LMNAMEN1KMT2A
SCHEMBL14991401 0.89 PARP1 (0.52) PARP1HRH3TSHRKDM4EALDH1A1
SCHEMBL5522616 0.88 PARP1 (0.51) PARP1HRH3
SCHEMBL5522611 0.88 PARP1 (0.51) PARP1HRH3
SCHEMBL5526558 0.88 PARP1 (0.51) PARP1HRH3
SCHEMBL4761495 0.87 PARP1 (0.50) PARP1HRH3
SCHEMBL4761493 0.87 PARP1 (0.50) PARP1HRH3
SCHEMBL5523126 0.85 PARP1 (0.58) PARP1ALOX15

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 10 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
WO-2020238528-A1 INTERMEDIATE TSL-1502M OF PARP INHIBITOR AND PREPARATION METHOD THEREOF 江苏天士力帝益药业有限公司 2020-12-03 WO disclosed
CN-112010850-A Intermediate TSL-1502M of PARP inhibitor and preparation method thereof 江苏天士力帝益药业有限公司 2020-12-01 CN disclosed
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 1/4885HRH3 3706/4885LMNA 244/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885HRH3 3706/4885LMNA 244/4885

“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.