SCHEMBL630591

SCHEMBL630591

NC(=O)c1cccc2[nH]c(C3CN(CC4CC4)C3)nc12

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.72
PARP2 Q9UGN5 4/20 0.65

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
SCHEMBL630780 0.92 PARP1 (0.76) PARP1PARP2
SCHEMBL630399 0.84 PARP1 (1.00) PARP1PARP2
SCHEMBL5077304 0.83 PARP1 (0.72) PARP1PARP2
SCHEMBL5077307 0.83 PARP1 (0.72) PARP1PARP2
SCHEMBL630352 0.83 PARP1 (0.74) PARP1PARP2
SCHEMBL1995353 0.82 PARP1 (0.87) PARP1PARP2
SCHEMBL630402 0.81 PARP1 (0.95) PARP1PARP2
SCHEMBL631261 0.81 PARP1 (1.00) PARP1PARP2
SCHEMBL630747 0.81 PARP1 (0.98) PARP1PARP2
SCHEMBL6781558 0.81 PARP1 (0.70) PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338487-B1 Combination therapy with PARP inhibitors ABBOTT LAB (US) 2013-09-11 EP disclosed
EP-2420499-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS POTENT PARP INHIBITORS ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-2420234-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS PARP INHIBITORS FOR USE IN TREATING CANCER ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-1869011-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2012-08-01 EP disclosed
EP-2420234-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as PARP inhibitors for use in treating cancer Abbott Laboratories (US) 2012-02-22 EP disclosed
EP-2420499-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as potent PARP inhibitors Abbott Laboratories (US) 2012-02-22 EP disclosed
EP-2338487-A1 Combination therapy with PARP inhibitors Abbott Laboratories (US) 2011-06-29 EP disclosed
EP-2329818-A1 Combination therapy with PARP inhibitors Abbott Laboratories (US) 2011-06-08 EP disclosed
CN-101370497-B Combination product with PARP inhibitors and cell toxin and its uses ABBOTT LAB 2010-11-17 CN disclosed