SCHEMBL4048087

SCHEMBL4048087

O=c1[nH]c2cc(C3CCN(Cc4ccccc4)CC3)nn2c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.69
CYP1A2 P05177 1/20 0.49
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47

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
SCHEMBL4048930 0.95 PARP1 (0.64) PARP1CYP1A2
SCHEMBL4049214 0.89 PARP1 (0.68) PARP1CYP1A2DRD2DRD4DRD3
SCHEMBL4051261 0.87 PARP1 (0.71) PARP1CYP1A2
SCHEMBL4054595 0.86 PARP1 (0.70) PARP1CYP1A2
SCHEMBL4046748 0.85 PARP1 (0.69) PARP1CYP1A2
SCHEMBL4053090 0.85 PARP1 (0.88) PARP1CYP1A2
SCHEMBL4054673 0.84 PARP1 (0.67) PARP1CYP1A2
SCHEMBL4052145 0.83 PARP1 (0.76) PARP1CYP1A2
SCHEMBL4047821 0.83 PARP1 (0.65) PARP1CYP1A2
SCHEMBL4046789 0.83 PARP1 (0.66) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069351-B1 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBVIE INC (US) 2015-10-28 EP claimed
US-8183250-B2 Potent PARP inhibitors ABBOTT LABORATORIES (US) 2012-05-22 US claimed
US-20090298858-A1 POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-12-03 US claimed
EP-2069351-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS Abbott Laboratories (US) 2009-06-17 EP claimed
US-20080015182-A1 Potent PARP Inhibitors ABBOTT LABORATORIES 2008-01-17 US claimed
WO-2007149907-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-12-27 WO 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 782/4885DRD2 3874/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 PARP1 1/4885CYP1A2 782/4885DRD2 3874/4885

“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.