SCHEMBL4906480

SCHEMBL4906480

COc1ccc(C2(c3ccnc(-c4cccc(C#N)c4)c3)NC(=S)N(C)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.42
CLK4 Q9HAZ1 5/20 0.41
DYRK1A Q13627 1/20 0.41
CYP1A2 P05177 8/20 0.39
USP2 O75604 7/20 0.39
CYP3A4 P08684 7/20 0.39
ALDH1A1 P00352 6/20 0.39
TSHR P16473 5/20 0.39
CYP2C19 P33261 5/20 0.39
CYP2D6 P10635 3/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
CTSD P07339 1/20 0.39
CYP2C9 P11712 3/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 4/20 0.36
HSD17B10 Q99714 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 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
SCHEMBL4781470 0.90 BACE1 (0.40) BACE1CLK4DYRK1ACYP1A2USP2
SCHEMBL4913733 0.89 BACE1 (0.43) BACE1CYP1A2CYP3A4CYP2C19BACE2
SCHEMBL4733576 0.83 BACE1 (0.39) BACE1CYP3A4TSHRCYP2C19BACE2
SCHEMBL4735502 0.82 PTGDR (0.41) BACE1CLK4DYRK1ACYP1A2USP2
SCHEMBL4913673 0.82 BACE1 (0.37) BACE1BACE2CTSD
SCHEMBL4733817 0.78 BACE1 (0.47) BACE1BACE2CTSD
SCHEMBL8198405 0.77 BACE1 (0.33) BACE1BACE2CTSDMEN1KMT2A
SCHEMBL4735504 0.75 CLK4 (0.44) CLK4DYRK1ACYP1A2USP2CYP3A4
SCHEMBL8202954 0.75 PLK1 (0.39) BACE1CYP3A4BACE2CTSD
SCHEMBL4511383 0.73 KMT2A (0.42) BACE1ALDH1A1BACE2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors ASTRAZENECA AB (SE) 2008-07-24 US disclosed
US-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors ASTRAZENECA AB (SE) 2008-07-24 US disclosed
US-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors ASTRAZENECA AB (SE) 2008-07-24 US disclosed
WO-2008076046-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 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 (1 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-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors BACE1, BACE2, PSEN1 BACE1 1/4885CLK4 3162/4885DYRK1A 3622/4885

“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.