SCHEMBL4048097

SCHEMBL4048097

O=C1CCCN1c1cccc(Cc2cc3[nH]c(=O)c4ccccc4n3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.59
CYP1A2 P05177 2/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
BRD4 O60885 1/20 0.41
BRDT Q58F21 1/20 0.41
ROCK1 Q13464 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4046972 0.80 PARP1 (0.70) PARP1CYP1A2
SCHEMBL4053004 0.78 PARP1 (0.63) PARP1CYP1A2
SCHEMBL4052039 0.78 PARP1 (0.62) PARP1CYP1A2
SCHEMBL4046699 0.78 PARP1 (0.58) PARP1CYP1A2
SCHEMBL4232211 0.76 PARP1 (0.58) PARP1CYP1A2
SCHEMBL4228556 0.76 PARP1 (0.58) PARP1CYP1A2
SCHEMBL3389886 0.74 PARP1 (1.00) PARP1
SCHEMBL4052422 0.73 PARP1 (0.55) PARP1CYP1A2
SCHEMBL4046686 0.73 PARP1 (0.57) PARP1CYP1A2
SCHEMBL4049356 0.72 PARP1 (0.65) PARP1CYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298858-A1 POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-12-03 US claimed
US-20080015182-A1 Potent PARP Inhibitors ABBOTT LABORATORIES 2008-01-17 US claimed
EP-2069351-B1 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBVIE INC (US) 2015-10-28 EP disclosed
US-8183250-B2 Potent PARP inhibitors ABBOTT LABORATORIES (US) 2012-05-22 US disclosed
US-20090298858-A1 POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-12-03 US disclosed
EP-2069351-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS Abbott Laboratories (US) 2009-06-17 EP disclosed
US-20080015182-A1 Potent PARP Inhibitors ABBOTT LABORATORIES 2008-01-17 US disclosed
WO-2007149907-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-12-27 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-20090298858-A1 POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885CYP1A2 782/4885NPC1 3831/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 PARP1 1/4885CYP1A2 782/4885NPC1 3831/4885

“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.