SCHEMBL4500426

SCHEMBL4500426

CSc1ncnc2cc(OCCN3CCN(C(C)=O)CC3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.55
GRM4 Q14833 1/20 0.52
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
KDR P35968 4/20 0.44
SRC P12931 3/20 0.43
ALK Q9UM73 1/20 0.43
DRD2 P14416 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
THRB P10828 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
AURKA O14965 1/20 0.42
CSF1R P07333 1/20 0.42
KIT P10721 1/20 0.42
FLT4 P35916 1/20 0.42
FLT3 P36888 1/20 0.42
EPHX2 P34913 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL4493140 0.89 HRH2 (0.48) DRD3GRM4DRD2AURKACSF1R
SCHEMBL4517534 0.87 PDE3B (0.43) GRM4EPHX2
SCHEMBL4494851 0.85 ALDH1A1 (0.52) THRB
SCHEMBL4963809 0.79 GRM4 (0.50) DRD3GRM4CYP4F2CYP4A11AURKA
SCHEMBL3564710 0.79 DRD3 (0.49) DRD3GRM4CYP4F2CYP4A11KDR
SCHEMBL4426235 0.78 BRAF (0.46) DRD3HRH3SIGMAR1AURKACSF1R
SCHEMBL4424613 0.78 AURKA (0.55) GRM4KDRSRCHRH3SIGMAR1
SCHEMBL4507585 0.77 TSHR (0.53) KDRSRCHRH3SIGMAR1AURKA
SCHEMBL4962333 0.74 MAPK7 (0.48) DRD3GRM4HRH3AURKA
SCHEMBL3566263 0.74 AURKA (0.46) DRD3GRM4CYP4F2CYP4A11HRH3

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 8 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
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
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 (2 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-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 DRD3 415/4885GRM4 829/4885CYP4F2 4104/4885
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 DRD3 362/4885GRM4 1232/4885CYP4F2 3601/4885

“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.