SCHEMBL22489688

SCHEMBL22489688

COc1ccc(-n2ncc3cnc(Nc4cc(OC)c(OC)c(OCCCN5CCN(C)CC5)c4)nc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 1.00
PTK2 Q05397 10/20 0.54
LCK P06239 4/20 0.54
KDR P35968 4/20 0.54
JAK2 O60674 2/20 0.54
MET P08581 2/20 0.54
FGFR1 P11362 2/20 0.54
JAK3 P52333 2/20 0.54
BTK Q06187 2/20 0.54
FYN P06241 2/20 0.54
AURKA O14965 1/20 0.54
DAPK3 O43293 1/20 0.54
PAK4 O96013 1/20 0.54
ABL1 P00519 1/20 0.54
NTRK1 P04629 1/20 0.54
CSF1R P07333 1/20 0.54
RET P07949 1/20 0.54
IGF1R P08069 1/20 0.54
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54

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
SCHEMBL1356020 0.86 TBK1 (0.74) TBK1PTK2LCKKDRJAK2
SCHEMBL1353760 0.78 EGFR (0.65) TBK1KDRFGFR1AURKAPDGFRB
SCHEMBL1355771 0.76 EIF2AK4 (0.64) TBK1PTK2LCKKDRJAK2
SCHEMBL1355147 0.76 TBK1 (0.61) TBK1PTK2LCKKDRJAK2
SCHEMBL1356682 0.74 EIF2AK4 (0.61) TBK1PTK2LCKKDRJAK2
SCHEMBL4036384 0.73 FLT3 (0.60) TBK1KDRAURKAFLT3BRD4
SCHEMBL1356307 0.72 EIF2AK4 (0.61) TBK1PTK2LCKKDRJAK2
SCHEMBL1355858 0.72 EIF2AK4 (0.61) TBK1PTK2LCKKDRJAK2
SCHEMBL21941982 0.72 EHMT2 (0.62) TBK1PTK2LCKKDRFGFR1
SCHEMBL1353635 0.71 EIF2AK4 (0.66) TBK1PTK2FGFR1FLT3CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308240-A1 Targeting Innate Immune Signaling in Neuroinflammation and Neurodegeneration THE GENERAL HOSPITAL CORPORATION 2020-10-01 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 (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-20200308240-A1 Targeting Innate Immune Signaling in Neuroinflammation and Neurodegeneration TBK1, STAT1, IRF3 TBK1 1/4885PTK2 1084/4885LCK 170/4885

“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.