SCHEMBL4510546

SCHEMBL4510546

O=C1Nc2cc(Br)ccc2C1c1ncnc2cc(OCCCN3CCOCC3)ccc12

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.78
AURKA O14965 2/20 0.44
AURKB Q96GD4 2/20 0.44
SIGMAR1 Q99720 3/20 0.44
LSS P48449 2/20 0.43
KDR P35968 2/20 0.43
SRC P12931 2/20 0.43
BRAF P15056 3/20 0.42
EGFR P00533 3/20 0.42
TNNI3K Q59H18 2/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ERBB2 P04626 1/20 0.41
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.41
MET P08581 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
SCHEMBL6372123 0.90 CHEK1 (0.78) CHEK1AURKAAURKBSIGMAR1KDR
Hydrochloric Acid SCHEMBL4504657 0.89 CHEK1 (0.77) CHEK1AURKAAURKBSIGMAR1KDR
Hydrochloric Acid SCHEMBL4518548 0.89 CHEK1 (0.77) CHEK1AURKAAURKBSIGMAR1KDR
SCHEMBL7206444 0.89 CHEK1 (0.77) CHEK1AURKAAURKBSIGMAR1KDR
SCHEMBL7205685 0.88 CHEK1 (0.75) CHEK1AURKAAURKBSIGMAR1KDR
SCHEMBL7211233 0.88 CHEK1 (1.00) CHEK1AURKAAURKBSIGMAR1KDR
SCHEMBL7210129 0.88 CHEK1 (0.75) CHEK1AURKAAURKBSIGMAR1KDR
SCHEMBL6587892 0.86 CHEK1 (0.60) CHEK1KDRSRCEGFR
Hydrochloric Acid SCHEMBL4508490 0.86 CHEK1 (0.59) CHEK1KDRSRCEGFR
SCHEMBL6595635 0.86 CHEK1 (0.68) CHEK1AURKAAURKBSIGMAR1KDR

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 12 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
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
EP-0912557-B1 OXINDOLE DERIVATIVES ASTRAZENECA AB (SE) 2003-07-09 EP disclosed
US-6265411-B1 ANGIOGENESIS INHIBITOR ZENECA LIMITED (GB) 2001-07-24 US disclosed
EP-0912557-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 EP disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 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 881/4885AURKA 606/4885AURKB 955/4885
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 1014/4885AURKA 480/4885AURKB 704/4885

“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.