SCHEMBL3864348

SCHEMBL3864348

CC(C)Cn1cnc2c(N)nc3ccc(CCCCc4ccccc4)cc3c21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.69
ADORA2A P29274 3/20 0.69
LMNA P02545 1/20 0.69
POLB P06746 1/20 0.69
HRH2 P25021 1/20 0.69
ADRA1D P25100 1/20 0.69
HTR2A P28223 1/20 0.69
ADRA1A P35348 1/20 0.69
NUDT1 P36639 1/20 0.69
HTR2B P41595 1/20 0.69
PDE4D Q08499 1/20 0.69
KCNH2 Q12809 1/20 0.69
TMIGD3 P0DMS9 2/20 0.41
ADORA1 P30542 2/20 0.41
DHFR P00374 2/20 0.40
TLR8 Q9NR97 3/20 0.40
ADORA2B P29275 1/20 0.40

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
SCHEMBL3863511 0.96 TLR7 (0.72) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL3864168 0.89 TLR7 (0.73) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL3864155 0.87 TLR7 (0.63) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL4524602 0.87 TLR7 (0.65) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL3871166 0.83 TLR7 (0.74) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL3862285 0.83 TLR7 (0.61) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL3862283 0.83 TLR7 (0.61) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL1486483 0.83 TLR7 (0.67) TLR7ADORA2ALMNAPOLBHRH2
SCHEMBL3862504 0.83 TLR7 (0.73) TLR7ADORA2ALMNAPOLBHRH2
Imiquimod SCHEMBL29357252 0.82 TLR7 (1.00) TLR7ADORA2ALMNAPOLBHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 WO 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 (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-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 TLR7 68/4885ADORA2A 2283/4885LMNA 4453/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 68/4885ADORA2A 2283/4885LMNA 4453/4885

“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.