SCHEMBL8203055

SCHEMBL8203055

Cc1cc(-c2ccc(F)c(Br)c2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.50
MAP4K4 O95819 2/20 0.43
AAK1 Q2M2I8 1/20 0.42
MAPK13 O15264 1/20 0.41
GCGR P47871 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
UHRF1 Q96T88 1/20 0.41
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
CYP2D6 P10635 2/20 0.40
PDK2 Q15119 1/20 0.40
CYP3A4 P08684 1/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL14970119 0.79 GRM2 (0.50) DYRK1AMAP4K4AAK1MAPK13GCGR
SCHEMBL8226435 0.78 RXRA (0.44) DYRK1AS1PR1S1PR3CLK4IRAK4
SCHEMBL30308690 0.78 DYRK1A (0.65) DYRK1AMAP4K4UHRF1PSEN1PSEN2
SCHEMBL1896511 0.78 DYRK1A (0.65) DYRK1AMAP4K4UHRF1PSEN1PSEN2
SCHEMBL4352639 0.78 PARP1 (0.42) MAPK14CYP2D6CYP11B2
SCHEMBL13036114 0.78 DYRK1A (0.53) DYRK1AMAP4K4AAK1UHRF1PSEN1
SCHEMBL1798186 0.77 DYRK1A (0.61) DYRK1AMAP4K4MAPK13GCGRMAPK12
SCHEMBL430984 0.77 DYRK1A (0.61) DYRK1AMAP4K4UHRF1PSEN1PSEN2
SCHEMBL14937749 0.76 GRM2 (0.53) DYRK1AAAK1PSEN1PSEN2APH1B
Iodide SCHEMBL9618570 0.76 DYRK1A (0.63) DYRK1AMAP4K4UHRF1PSEN1PSEN2

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 2 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
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 DYRK1A 3622/4885MAP4K4 1767/4885AAK1 429/4885

“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.