SCHEMBL5528810

SCHEMBL5528810

N#Cc1ccc(Cn2nc(C3CCC3)c3c4c(c(=O)[nH]c32)CCCC4)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.40
CYP19A1 P11511 1/20 0.38
ADORA1 P30542 6/20 0.37
ADORA3 P0DMS8 3/20 0.37
PARP1 P09874 6/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
ADORA2A P29274 1/20 0.35
TNK1 Q13470 1/20 0.35
HTR2B P41595 1/20 0.34
OPRM1 P35372 1/20 0.34
PARP14 Q460N5 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
SCHEMBL5522748 0.89 CLPP (0.40) HTR2CCYP19A1ADORA1ADORA3PARP1
SCHEMBL5517383 0.86 ADORA1 (0.39) HTR2CADORA1ADORA3PARP1ADORA2A
SCHEMBL5526082 0.86 PARP1 (0.45) ADORA1ADORA3PARP1ADORA2A
SCHEMBL5523140 0.85 ADORA1 (0.40) HTR2CADORA1ADORA3PARP1ADORA2A
SCHEMBL5522593 0.84 PARP1 (0.38) ADORA1ADORA3PARP1ADORA2A
SCHEMBL5534187 0.84 PARP1 (0.38) MAPTADORA1ADORA3PARP1ADORA2A
SCHEMBL5529526 0.83 PARP1 (0.48) ADORA1ADORA3PARP1ADORA2A
SCHEMBL5521518 0.83 PARP1 (0.47) ADORA1ADORA3PARP1ADORA2A
SCHEMBL5522404 0.82 PARP1 (0.46) ADORA1ADORA3PARP1ADORA2A
SCHEMBL5517980 0.82 PARP1 (0.46) ADORA1ADORA3PARP1ADORA2A

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 HTR2C 2637/4885TP53 222/4885MAPT 2450/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 HTR2C 2637/4885TP53 222/4885MAPT 2450/4885

“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.