SCHEMBL3083940

SCHEMBL3083940

O=c1[nH]c2cc(CN3CCCC3)ccc2n2cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 1.00
CDC7 O00311 1/20 0.71
PLK4 O00444 1/20 0.71
AURKA O14965 1/20 0.71
MAPK13 O15264 1/20 0.71
PDPK1 O15530 1/20 0.71
DYRK3 O43781 1/20 0.71
PRKD3 O94806 1/20 0.71
MAP4K4 O95819 1/20 0.71
PAK4 O96013 1/20 0.71
ERBB2 P04626 1/20 0.71
NTRK1 P04629 1/20 0.71
PRKCG P05129 1/20 0.71
FYN P06241 1/20 0.71
CSF1R P07333 1/20 0.71
RET P07949 1/20 0.71
IGF1R P08069 1/20 0.71
ROS1 P08922 1/20 0.71
KIT P10721 1/20 0.71
SRC P12931 1/20 0.71

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
SCHEMBL3068409 0.99 PARP1 (1.00) PARP1CDC7PLK4AURKAMAPK13
SCHEMBL3084834 0.90 PARP1 (1.00) PARP1CDC7PLK4AURKAMAPK13
SCHEMBL3085437 0.89 PARP1 (1.00) PARP1CDC7PLK4AURKAMAPK13
SCHEMBL3072481 0.87 PARP1 (0.77) PARP1CDC7PLK4AURKAMAPK13
SCHEMBL3078963 0.83 PARP1 (1.00) PARP1CDC7PLK4AURKAMAPK13
SCHEMBL3074261 0.83 PARP1 (1.00) PARP1CDC7PLK4AURKAMAPK13
SCHEMBL3074504 0.82 PARP1 (0.98) PARP1CDC7PLK4AURKAMAPK13
SCHEMBL3074577 0.80 PARP1 (0.86) PARP1CDC7PLK4AURKAMAPK13
SCHEMBL30273141 0.80 PARP1 (0.66) PARP1CDC7PLK4AURKAMAPK13
SCHEMBL29966010 0.80 PARP1 (0.66) PARP1CDC7PLK4AURKAMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US claimed
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 1/4885CDC7 1235/4885PLK4 3279/4885

“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.