SCHEMBL4520305

SCHEMBL4520305

COc1cc2c(C3C(=O)Nc4ccc(C(N)=O)cc43)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.52
EGFR P00533 10/20 0.52
KDR P35968 5/20 0.51
AURKA O14965 5/20 0.50
SRC P12931 3/20 0.50
HDAC1 Q13547 2/20 0.50
AURKB Q96GD4 2/20 0.50
ROCK2 O75116 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
RET P07949 1/20 0.50
MET P08581 1/20 0.50
MAPT P10636 1/20 0.50
PDGFRA P16234 1/20 0.50
LTK P29376 1/20 0.50
TTK P33981 1/20 0.50
MAP2K2 P36507 1/20 0.50
MAP2K1 Q02750 1/20 0.50
BTK Q06187 1/20 0.50

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
Hydrochloric Acid SCHEMBL7209536 0.99 CHEK1 (0.52) CHEK1EGFRKDRAURKASRC
SCHEMBL7210709 0.93 EGFR (0.53) CHEK1EGFRKDRAURKASRC
Hydrochloric Acid SCHEMBL7210552 0.93 CHEK1 (0.52) CHEK1EGFRKDRAURKASRC
Hydrochloric Acid SCHEMBL7206849 0.93 EGFR (0.52) CHEK1EGFRKDRAURKASRC
SCHEMBL7206973 0.90 CHEK1 (0.54) CHEK1EGFRKDRAURKASRC
SCHEMBL7205355 0.89 CHEK1 (0.54) CHEK1EGFRKDRAURKASRC
SCHEMBL7209868 0.89 EGFR (0.55) CHEK1EGFRKDRAURKASRC
Hydrochloric Acid SCHEMBL7211125 0.88 CHEK1 (0.54) CHEK1EGFRKDRAURKASRC
SCHEMBL6371867 0.88 CHEK1 (0.54) CHEK1EGFRKDRAURKASRC
SCHEMBL7205019 0.88 CHEK1 (0.58) CHEK1EGFRKDRAURKASRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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 CHEK1 881/4885EGFR 2648/4885KDR 3980/4885
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 CHEK1 1014/4885EGFR 2302/4885KDR 3528/4885

“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.