SCHEMBL3863587

SCHEMBL3863587

CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CC(C)(C)OCCS(C)(=O)=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.59
TLR8 Q9NR97 15/20 0.59
NUDT1 P36639 1/20 0.49
DHFR P00374 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
SCHEMBL3860875 0.89 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL3862366 0.86 TLR7 (0.51) TLR7TLR8NUDT1DHFR
SCHEMBL3868448 0.86 TLR7 (0.58) TLR7TLR8NUDT1DHFR
SCHEMBL29373958 0.85 TLR7 (0.69) TLR7TLR8NUDT1
SCHEMBL3862215 0.85 TLR7 (0.69) TLR7TLR8NUDT1
SCHEMBL3862026 0.84 TLR7 (0.81) TLR7TLR8NUDT1
SCHEMBL1895329 0.84 TLR7 (0.80) TLR7TLR8NUDT1
SCHEMBL3864139 0.82 TLR7 (0.50) TLR7TLR8NUDT1DHFR
SCHEMBL3865766 0.82 TLR8 (0.47) TLR7TLR8NUDT1DHFR
SCHEMBL1895183 0.82 TLR7 (0.62) TLR7TLR8NUDT1

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 68/4885TLR8 220/4885NUDT1 648/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 68/4885TLR8 220/4885NUDT1 648/4885

“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.