SCHEMBL4152878

SCHEMBL4152878

CN1C(=O)CC(C)(c2cccc(-c3cccnc3F)c2)N=C1N

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.67
CTSD P07339 12/20 0.64
BACE2 Q9Y5Z0 11/20 0.64

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
SCHEMBL4145999 0.86 BACE1 (0.65) BACE1CTSDBACE2
SCHEMBL4137571 0.86 BACE1 (0.65) BACE1CTSDBACE2
SCHEMBL8234874 0.85 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL13879656 0.85 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL4137189 0.85 BACE1 (0.72) BACE1
Hydrochloric Acid SCHEMBL4285147 0.84 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL4141947 0.83 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL4146199 0.83 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL4143828 0.82 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL4141837 0.82 BACE1 (0.65) BACE1

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-20090099217-A1 2-Aminopyrimidin-4-Ones And Their Use For Treating Or Preventing Alpha Beta-Related Pathologies ASTEX THERAPEUTICS LTD. (GB) 2009-04-16 US claimed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US claimed
EP-2004630-A1 2-AMINOPYRIMIDIN-4-ONES AND THEIR USE FOR TREATING OR PREVENTING A -RELATED PATHOLOGIES AstraZeneca AB (SE) 2008-12-24 EP claimed
WO-2007114771-A1 2-AMINOPYRIMIDIN-4-ONES AND THEIR USE FOR TREATING OR PREVENTING Aβ-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-11 WO claimed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090099217-A1 2-Aminopyrimidin-4-Ones And Their Use For Treating Or Preventing Alpha Beta-Related Pathologies ASTEX THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 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-20090099217-A1 2-Aminopyrimidin-4-Ones And Their Use For Treating Or Preventing Alpha Beta-Related Pathologies PSEN2, APP, PSEN1 BACE1 4/4885CTSD 3025/4885BACE2 6/4885
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 BACE1 3/4885CTSD 857/4885BACE2 7/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885CTSD 1616/4885BACE2 8/4885

“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.