SCHEMBL4884566

SCHEMBL4884566

NC1=NC(c2ccncc2)(c2cccc(-c3cc(Cl)cc(Cl)c3)c2)C2=NCCCN12

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.76
BACE2 Q9Y5Z0 12/20 0.59
CTSD P07339 11/20 0.59
APP P05067 1/20 0.59
REN P00797 1/20 0.52

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
SCHEMBL4888987 0.95 BACE1 (0.78) BACE1BACE2CTSDAPPREN
SCHEMBL8221934 0.93 BACE1 (0.80) BACE1BACE2CTSDAPPREN
Hydrochloric Acid SCHEMBL4892607 0.92 BACE1 (0.79) BACE1BACE2CTSDAPPREN
SCHEMBL4884568 0.91 BACE1 (0.80) BACE1BACE2CTSDAPPREN
SCHEMBL8214566 0.89 BACE1 (0.81) BACE1BACE2CTSDAPPREN
SCHEMBL4891069 0.88 BACE1 (0.71) BACE1BACE2CTSDAPPREN
SCHEMBL8227182 0.87 BACE1 (0.72) BACE1BACE2CTSDAPPREN
SCHEMBL4887720 0.87 BACE1 (0.67) BACE1BACE2CTSDAPPREN
SCHEMBL5660194 0.87 BACE1 (1.00) BACE1BACE2CTSDAPPREN
Hydrochloric Acid SCHEMBL4884679 0.86 BACE1 (0.71) BACE1BACE2CTSDAPPREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US claimed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 US 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-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 US 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 (3 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-20070299087-A1 New Compounds 319 PSEN2, PSEN1, MAPT BACE1 4/4885BACE2 16/4885CTSD 2006/4885
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION TNNI3, TNNT2, TNNC1 BACE1 5/4885BACE2 12/4885CTSD 354/4885
US-20080058349-A1 New Compounds 318 PSEN2, PSEN1, MAPT BACE1 5/4885BACE2 19/4885CTSD 1887/4885

“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.