SCHEMBL5526575

SCHEMBL5526575

CN1CCC[C@@H]1c1nn(C)c2[nH]c(=O)c3c(c12)CCCC3

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.58
CDC7 O00311 1/20 0.31
PIM1 P11309 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5523124 1.00 PARP1 (0.58) PARP1CDC7PIM1CSNK2BCSNK2A1
SCHEMBL5523126 1.00 PARP1 (0.58) PARP1CDC7PIM1CSNK2BCSNK2A1
SCHEMBL5534220 0.96 PARP1 (0.56) PARP1CHRNB2CHRNA7CHRNA4
SCHEMBL5522496 0.86 PARP1 (0.44) PARP1
SCHEMBL5521746 0.86 PARP1 (0.44) PARP1CDC7PIM1CSNK2BCSNK2A1
SCHEMBL5523210 0.86 PARP1 (0.53) PARP1
SCHEMBL4790277 0.86 PARP1 (0.53) PARP1
SCHEMBL4790275 0.86 PARP1 (0.53) PARP1
SCHEMBL5523218 0.86 PARP1 (0.53) PARP1
SCHEMBL4723345 0.85 PARP1 (0.52) 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 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 1/4885CDC7 694/4885PIM1 927/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885CDC7 694/4885PIM1 927/4885

“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.