SCHEMBL4510102

SCHEMBL4510102

CN(C)CCCOc1ccc2c(=O)[nH]cnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.51
CHEK1 O14757 1/20 0.51
PIM1 P11309 1/20 0.51
RPS6KA3 P51812 1/20 0.51
MAOA P21397 1/20 0.49
ALDH1A1 P00352 2/20 0.48
IP6K1 Q92551 2/20 0.45
LSS P48449 1/20 0.44
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 3/20 0.44
KDM4A O75164 1/20 0.43
KDM4B O94953 1/20 0.43
KDM5C P41229 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
TOP2A P11388 2/20 0.43
AURKA O14965 1/20 0.42
JAK2 O60674 1/20 0.42

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
SCHEMBL4512958 0.93 PARP1 (0.52) PARP1CHEK1PIM1RPS6KA3MAOA
SCHEMBL4508399 0.84 PARP1 (0.48) PARP1CHEK1PIM1RPS6KA3MAOA
SCHEMBL4875349 0.82 PARP1 (0.51) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL5565888 0.82 PARP1 (0.55) PARP1CHEK1PIM1RPS6KA3MAOA
SCHEMBL1346000 0.82 PARP1 (0.51) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL4503343 0.82 PARP1 (0.49) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL3489621 0.81 PARP1 (0.50) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL4876430 0.81 PARP1 (0.53) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL8814884 0.81 KDM4E (0.49) MAOAALDH1A1LSSFGFR1SRC
SCHEMBL4497910 0.79 PARP1 (0.51) PARP1CHEK1PIM1RPS6KA3MAOA

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-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-12012400-B2 Method of the preparation of fused multicyclic compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2024-06-18 US disclosed
US-20230265088-A1 The Method of the Preparation of Fused Multicyclic Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-08-24 US disclosed
US-20230265088-A1 The Method of the Preparation of Fused Multicyclic Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-08-24 US disclosed
US-20230265088-A1 The Method of the Preparation of Fused Multicyclic Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-08-24 US disclosed
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 (4 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-20230265088-A1 The Method of the Preparation of Fused Multicyclic Compounds CYP2W1, CYP1B1, CYP2F1 PARP1 339/4885CHEK1 3394/4885PIM1 2582/4885
US-12012400-B2 Method of the preparation of fused multicyclic compounds CYP1B1, CYP2W1, CYP2F1 PARP1 312/4885CHEK1 3459/4885PIM1 2502/4885
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.