SCHEMBL3080392

SCHEMBL3080392

CN(C)C(=O)c1ccc2c(c1)[nH]c(=O)c1cccn12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.62
TP53 P04637 1/20 0.57
AURKB Q96GD4 1/20 0.57
PDE9A O76083 1/20 0.55
CDC7 O00311 2/20 0.45
PLK4 O00444 2/20 0.45
MAPK13 O15264 2/20 0.45
PDPK1 O15530 2/20 0.45
DYRK3 O43781 2/20 0.45
ERBB2 P04626 2/20 0.45
PRKCG P05129 2/20 0.45
ROS1 P08922 2/20 0.45
KIT P10721 2/20 0.45
SRC P12931 2/20 0.45
PHKG2 P15735 2/20 0.45
AKT1 P31749 2/20 0.45
AKT2 P31751 2/20 0.45
MATK P42679 2/20 0.45
MAPKAPK2 P49137 2/20 0.45
BLK P51451 2/20 0.45

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
SCHEMBL30902531 0.85 PARP1 (0.67) PARP1TP53AURKBCDC7PLK4
SCHEMBL13056839 0.83 PARP1 (0.68) PARP1TP53AURKBCDC7PLK4
SCHEMBL3784199 0.83 PARP1 (0.68) PARP1TP53AURKBCDC7PLK4
SCHEMBL3339424 0.82 PARP1 (0.62) PARP1TP53AURKBCDC7PLK4
SCHEMBL29893230 0.82 PARP1 (0.62) PARP1TP53AURKBCDC7PLK4
SCHEMBL3068637 0.79 PARP1 (0.68) PARP1TP53AURKB
SCHEMBL29965297 0.79 PARP1 (0.59) PARP1TP53AURKBCDC7PLK4
SCHEMBL3786255 0.79 PARP1 (0.59) PARP1TP53AURKBCDC7PLK4
SCHEMBL3087087 0.77 PARP1 (1.00) PARP1TP53AURKBCDC7PLK4
SCHEMBL13056827 0.77 PARP1 (0.80) PARP1TP53AURKBCDC7PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114948-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2014-06-25 EP disclosed
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
EP-2114948-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE Abbott Laboratories (US) 2009-11-11 EP disclosed
WO-2008082887-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 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 (1 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-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885TP53 177/4885AURKB 1768/4885

“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.