SCHEMBL4512958

SCHEMBL4512958

CN(C)CCOc1ccc2c(=O)[nH]cnc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.52
CHEK1 O14757 1/20 0.52
PIM1 P11309 1/20 0.52
RPS6KA3 P51812 1/20 0.52
ALDH1A1 P00352 2/20 0.49
MAOA P21397 1/20 0.48
SYK P43405 2/20 0.48
AURKA O14965 1/20 0.48
JAK2 O60674 1/20 0.48
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
INSR P06213 1/20 0.48
LCK P06239 1/20 0.48
IGF1R P08069 1/20 0.48
MET P08581 1/20 0.48
KIT P10721 1/20 0.48
FGFR4 P22455 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK1 P28482 1/20 0.48
KDR P35968 1/20 0.48

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
SCHEMBL4510102 0.93 PARP1 (0.51) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL4508399 0.87 PARP1 (0.48) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL4503343 0.86 PARP1 (0.49) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL5565888 0.83 PARP1 (0.55) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL4876430 0.82 PARP1 (0.53) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL4875349 0.81 PARP1 (0.51) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL1346000 0.81 PARP1 (0.51) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL4497910 0.80 PARP1 (0.51) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL3489621 0.80 PARP1 (0.50) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL29428185 0.78 PARP1 (0.63) PARP1CHEK1PIM1RPS6KA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070559-A1 Use of oxindole derivatives in the treatment of dementia related diseases, alzheimer's disease and conditions associated with glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2005-03-31 US claimed
EP-1458394-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 AstraZeneca AB (SE) 2004-09-22 EP claimed
WO-2003055492-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER'S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-10 WO claimed
US-20090312322-A1 Use of Oxindole Derivatives in the Treatment of Dementia Related Diseases, Alzheimer's Disease and Conditions Associated with Glycogen Synthase Kinase-3 ASTRAZENECA AB (SE) 2009-12-17 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
EP-1458394-B1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2008-10-22 EP disclosed
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP disclosed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 WO disclosed
US-20050070559-A1 Use of oxindole derivatives in the treatment of dementia related diseases, alzheimer's disease and conditions associated with glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2005-03-31 US disclosed
EP-1458394-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003055492-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER'S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-10 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 (3 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-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B PARP1 2645/4885CHEK1 233/4885PIM1 1861/4885
US-20050070559-A1 Use of oxindole derivatives in the treatment of dementia related diseases, alzheimer's disease and conditions associated with glycogen synthase kinase-3 GSK3A, GSK3B, PYGB PARP1 2215/4885CHEK1 881/4885PIM1 1748/4885
US-20090312322-A1 Use of Oxindole Derivatives in the Treatment of Dementia Related Diseases, Alzheimer's Disease and Conditions Associated with Glycogen Synthase Kinase-3 GSK3A, GSK3B, PSEN1 PARP1 2627/4885CHEK1 1014/4885PIM1 1673/4885

“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.