SCHEMBL423080

SCHEMBL423080

O=C1CCn2c(-c3ccc(-c4ccccn4)cc3)nc3cccc1c32

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.56
HTR3A P46098 1/20 0.42
KCNH2 Q12809 1/20 0.40
GRM2 Q14416 1/20 0.40

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
SCHEMBL6202114 0.85 PARP1 (0.78) PARP1
SCHEMBL8824023 0.82 PARP1 (0.68) PARP1HTR3AKCNH2GRM2
SCHEMBL7265023 0.79 PARP1 (0.45) PARP1HTR3A
SCHEMBL7265019 0.78 LMNA (0.52) PARP1
SCHEMBL7160413 0.76 PARP1 (0.75) PARP1
SCHEMBL7259689 0.75 PARP1 (0.47) PARP1HTR3AKCNH2GRM2
SCHEMBL7261090 0.72 PARP1 (0.46) PARP1
SCHEMBL7260381 0.72 NPC1 (0.46) PARP1HTR3A
SCHEMBL831830 0.72 PARP1 (1.00) PARP1
SCHEMBL7261085 0.71 MMP13 (0.49) PARP1

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
US-20120022026-A1 METHOD OF TREATING CANCER ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2012-01-26 US claimed
EP-2387403-A1 METHOD OF TREATING CANCER Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2011-11-23 EP claimed
US-20110253692-A1 Electrical heater for vehicle windshields and windows SCHAUBLE RICHARD EGON 2011-10-20 US claimed
WO-2010082821-A1 METHOD OF TREATING CANCER ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2010-07-22 WO claimed
US-20240105279-A1 METHODS AND SYSTEMS EMPLOYING TARGETED NEXT GENERATION SEQUENCING FOR CLASSIFYING A TUMOR SAMPLE AS HAVING A LEVEL OF HOMOLOGOUS RECOMBINATION DEFICIENCY SIMILAR TO THAT ASSOCIATED WITH MUTATIONS IN BRCA1 OR BRCA2 GENES Genomic Testing Cooperative, LCA (US) 2024-03-28 US disclosed
US-20120022026-A1 METHOD OF TREATING CANCER ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2012-01-26 US disclosed
EP-2387403-A1 METHOD OF TREATING CANCER Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2011-11-23 EP disclosed
US-20110253692-A1 Electrical heater for vehicle windshields and windows SCHAUBLE RICHARD EGON 2011-10-20 US disclosed
WO-2010082821-A1 METHOD OF TREATING CANCER ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2010-07-22 WO disclosed