SCHEMBL6710596

SCHEMBL6710596

CC(C)(N)Cn1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.79
NUDT1 P36639 2/20 0.67
ADORA2A P29274 2/20 0.67
LMNA P02545 1/20 0.67
POLB P06746 1/20 0.67
HRH2 P25021 1/20 0.67
ADRA1D P25100 1/20 0.67
HTR2A P28223 1/20 0.67
ADRA1A P35348 1/20 0.67
HTR2B P41595 1/20 0.67
PDE4D Q08499 1/20 0.67
KCNH2 Q12809 1/20 0.67
TLR8 Q9NR97 10/20 0.46
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL29508382 0.88 TLR7 (1.00) TLR7NUDT1ADORA2ALMNAPOLB
SCHEMBL189202 0.88 TLR7 (1.00) TLR7NUDT1ADORA2ALMNAPOLB
SCHEMBL5617088 0.84 TLR7 (0.74) TLR7NUDT1ADORA2ALMNAPOLB
SCHEMBL22803659 0.83 TLR7 (0.73) TLR7NUDT1ADORA2ALMNAPOLB
SCHEMBL30773474 0.83 TLR7 (0.73) TLR7NUDT1ADORA2ALMNAPOLB
SCHEMBL4144585 0.82 TLR7 (0.71) TLR7NUDT1ADORA2ALMNAPOLB
SCHEMBL8522286 0.82 TLR7 (0.87) TLR7NUDT1ADORA2ALMNAPOLB
SCHEMBL5617005 0.81 TLR7 (0.70) TLR7NUDT1ADORA2ALMNAPOLB
SCHEMBL13248614 0.81 TLR7 (0.70) TLR7NUDT1ADORA2ALMNAPOLB
SCHEMBL27212290 0.81 TLR7 (0.65) TLR7NUDT1ADORA2ALMNAPOLB

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-20040132762-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-08 US claimed
US-20040106638-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-06-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040132762-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 59/4885NUDT1 1569/4885ADORA2A 3751/4885
US-20040106638-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 59/4885NUDT1 1569/4885ADORA2A 3751/4885

“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.