SCHEMBL4151589

SCHEMBL4151589

CC1(c2ccc3ccccc3c2)CC(=O)NC(N)=N1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.69
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 5/20 0.40
SLC6A2 P23975 4/20 0.40
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL4142824 0.82 BACE1 (1.00) BACE1KMT2ACYP19A1BACE2
SCHEMBL2884765 0.80 BACE1 (0.73) BACE1CYP19A1BACE2
SCHEMBL4146354 0.79 BACE1 (0.71) BACE1BACE2
SCHEMBL4150737 0.79 BACE1 (1.00) BACE1SLC6A4SLC6A3SLC6A2CYP19A1
SCHEMBL4151265 0.78 BACE1 (0.69) BACE1SLC6A4SLC6A3SLC6A2BACE2
SCHEMBL10194228 0.76 SLC6A4 (0.42) BACE1PRMT5WDR77SLC6A4SLC6A3
SCHEMBL4156046 0.76 BACE1 (0.71) BACE1PRMT5WDR77
SCHEMBL4140687 0.76 BACE1 (0.78) BACE1CYP19A1BACE2
SCHEMBL8262672 0.75 BACE1 (0.61) BACE1SLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL2884759 0.75 BACE1 (0.64) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US 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-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
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 BACE1 3/4885PRMT5 311/4885WDR77 1654/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885PRMT5 810/4885WDR77 532/4885

“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.