SCHEMBL4201012

SCHEMBL4201012

COc1cc(OS(C)(=O)=O)cc(-c2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.76
BACE2 Q9Y5Z0 3/20 0.48
CTSD P07339 2/20 0.46

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
SCHEMBL4136911 0.92 BACE1 (0.89) BACE1BACE2CTSD
SCHEMBL4141578 0.87 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL21067614 0.87 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL13879668 0.82 BACE1 (0.82) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL4286079 0.82 BACE1 (0.81) BACE1BACE2CTSD
SCHEMBL4146578 0.80 BACE1 (0.87) BACE1BACE2
SCHEMBL4135087 0.80 BACE1 (0.75) BACE1
SCHEMBL4147959 0.80 BACE1 (0.75) BACE1
SCHEMBL4518090 0.80 BACE1 (0.85) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL4522370 0.79 BACE1 (0.83) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023762-A1 Substituted 2-Aminopyrimidine-4-Ones, Their Pharmaceutical Compositions And Their Use In The Treatment And/Or Prevention Of Ab-Related Pathologies ASTRAZENECA AB (SE) 2009-01-22 US claimed
EP-1966160-A1 SUBSTITUTED 2-AMINOPYRIMIDINE-4-ONES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT AND/OR PREVENTION OF Aß-RELATED PATHOLOGIES AstraZeneca AB (SE) 2008-09-10 EP claimed
WO-2007073284-A1 SUBSTITUTED 2-AMINOPYRIMIDINE-4-ONES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT AND/OR PREVENTION OF Aß-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-06-28 WO claimed
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 US disclosed
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 US disclosed
US-20090023762-A1 Substituted 2-Aminopyrimidine-4-Ones, Their Pharmaceutical Compositions And Their Use In The Treatment And/Or Prevention Of Ab-Related Pathologies ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023762-A1 Substituted 2-Aminopyrimidine-4-Ones, Their Pharmaceutical Compositions And Their Use In The Treatment And/Or Prevention Of Ab-Related Pathologies ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023762-A1 Substituted 2-Aminopyrimidine-4-Ones, Their Pharmaceutical Compositions And Their Use In The Treatment And/Or Prevention Of Ab-Related Pathologies ASTRAZENECA AB (SE) 2009-01-22 US disclosed
EP-1966160-A1 SUBSTITUTED 2-AMINOPYRIMIDINE-4-ONES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT AND/OR PREVENTION OF Aß-RELATED PATHOLOGIES AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007073284-A1 SUBSTITUTED 2-AMINOPYRIMIDINE-4-ONES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT AND/OR PREVENTION OF Aß-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
WO-2007073284-A1 SUBSTITUTED 2-AMINOPYRIMIDINE-4-ONES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT AND/OR PREVENTION OF Aß-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-06-28 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-20090023762-A1 Substituted 2-Aminopyrimidine-4-Ones, Their Pharmaceutical Compositions And Their Use In The Treatment And/Or Prevention Of Ab-Related Pathologies PSEN2, PSEN1, MAPT BACE1 5/4885BACE2 12/4885CTSD 4068/4885
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION TNNI3, TNNT2, TNNC1 BACE1 5/4885BACE2 12/4885CTSD 354/4885

“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.