SCHEMBL3868547

SCHEMBL3868547

CC(C)N1CCC(c2ccc(Nc3ccc(-c4ccc5c(c4)C=NC5=O)n4ccnc34)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 3/20 0.34
SYK P43405 4/20 0.34
TLR9 Q9NR96 7/20 0.34
TLR8 Q9NR97 7/20 0.34
TLR7 Q9NYK1 7/20 0.34
EGFR P00533 1/20 0.33
LCK P06239 1/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
WEE1 P30291 1/20 0.33
CHEK1 O14757 1/20 0.32
PARP1 P09874 1/20 0.31
MAP4K1 Q92918 1/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31

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
SCHEMBL1685212 0.86 MAPKAPK5 (0.49) MAPKAPK5SYKEGFRLCKJAK3
SCHEMBL10134512 0.85 MAPKAPK5 (0.48) MAPKAPK5SYKTLR9TLR8TLR7
SCHEMBL1685148 0.84 HRH3 (0.38) MAPKAPK5SYKBTK
SCHEMBL3879219 0.83 SYK (0.40) MAPKAPK5SYKWEE1
SCHEMBL3879195 0.82 SYK (0.38) MAPKAPK5SYKEGFR
SCHEMBL13922546 0.81 TLR9 (0.36) TLR9TLR8TLR7EGFRLCK
SCHEMBL1685268 0.80 CCNA2 (0.36) SYK
SCHEMBL1685319 0.79 JAK2 (0.36) MAPKAPK5JAK3TGFBR1
SCHEMBL12619369 0.78 WEE1 (0.38) SYKTLR9TLR8TLR7EGFR
SCHEMBL12618853 0.78 IRAK4 (0.35) MAPKAPK5SYKTLR9TLR8TLR7

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-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2009-02-19 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-20090048245-A1 Imidazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases COL2A1, MMP1, COL1A1 MAPKAPK5 19/4885SYK 1605/4885TLR9 2876/4885

“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.