SCHEMBL2113100

SCHEMBL2113100

CC(C)Cn1c(CO)nc2c(N)nc3cc(-c4cccnc4)ccc3c21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.52
TLR8 Q9NR97 6/20 0.47
DHFR P00374 1/20 0.41
LRRK2 Q5S007 1/20 0.40
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL2115601 0.93 TLR7 (0.55) TLR7TLR8DHFR
SCHEMBL2114383 0.89 TLR7 (0.57) TLR7TLR8
SCHEMBL3866064 0.87 TLR7 (0.68) TLR7TLR8DHFR
SCHEMBL3867894 0.87 TLR7 (0.54) TLR7TLR8DHFR
SCHEMBL1689229 0.86 TLR7 (0.52) TLR7TLR8
SCHEMBL25575191 0.84 TLR7 (0.44) TLR7TLR8DHFRNLRP3
SCHEMBL3861633 0.83 TLR7 (0.46) TLR7TLR8
SCHEMBL1753878 0.82 TLR7 (0.44) TLR7TLR8NLRP3
SCHEMBL25575194 0.81 TLR7 (0.56) TLR7TLR8
SCHEMBL1689152 0.81 TLR7 (0.60) TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158794-B2 Hydroxyalkyl substituted imidazoquinoline compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-04-17 US claimed
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US claimed
US-8158794-B2 Hydroxyalkyl substituted imidazoquinoline compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-04-17 US disclosed
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 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-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods IFNG, IRF3, IFNAR1 TLR7 27/4885TLR8 152/4885DHFR 326/4885

“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.