SCHEMBL6705148

SCHEMBL6705148

CCC(CCCCCN)c1cccc2nc(N)c3nc[nH]c3c12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.34
PIK3CG P48736 4/20 0.32
PIK3CD O00329 3/20 0.32
PIK3CA P42336 3/20 0.32
PIK3CB P42338 3/20 0.32
PIK3R1 P27986 2/20 0.32
TLR7 Q9NYK1 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
PIK3R2 O00459 1/20 0.30
ABCB11 O95342 1/20 0.30
HTR1A P08908 1/20 0.30
PTGS1 P23219 1/20 0.30
OPRM1 P35372 1/20 0.30
PRKDC P78527 1/20 0.30
SLC6A3 Q01959 1/20 0.30
PDE4D Q08499 1/20 0.30
PDE3A Q14432 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30

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
SCHEMBL17956087 0.86 TLR8 (0.31) TLR8PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL3172914 0.81 TLR8 (0.33) TLR8
SCHEMBL6278527 0.80 TLR8 (0.39) TLR8TLR7
SCHEMBL8575636 0.80 TLR8 (0.35) TLR8PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL8727256 0.80 TLR8 (0.40) TLR8PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL8727251 0.77 ELANE (0.39) TLR8PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL18587567 0.74 TLR8 (0.43) TLR8
SCHEMBL25958200 0.72 ELANE (0.46) TLR8PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL5139045 0.71 ABL1 (0.32)
SCHEMBL8571306 0.70 PARP1 (0.46) PIK3CGPIK3CDADORA3

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-20040014754-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-22 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-20040014754-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR8 237/4885PIK3CG 3266/4885PIK3CD 2573/4885

“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.