SCHEMBL3870484

SCHEMBL3870484

CCCCc1nc2cnc3cc(Br)ccc3c2n1CCNS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.38
JAK1 P23458 2/20 0.37
TLR8 Q9NR97 5/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL3861446 0.85 TLR7 (0.40) TLR7TLR8GAAHTTLMNA
SCHEMBL3867218 0.83 TLR7 (0.56) TLR7TLR8
SCHEMBL3975797 0.81 TLR7 (0.53) TLR7TLR8GAAHTTLMNA
SCHEMBL3862459 0.79 TLR7 (0.51) TLR7TLR8GAAHDAC1
SCHEMBL4243584 0.78 TLR7 (0.46) TLR7JAK1TLR8GAAHTT
SCHEMBL3969529 0.77 TLR7 (0.55) TLR7TLR8GAAHTTLMNA
SCHEMBL3873637 0.77 TP53 (0.39) TLR7TLR8GAAHTTLMNA
SCHEMBL3169725 0.77 TLR7 (0.43) TLR7TLR8HDAC1
SCHEMBL5618310 0.76 PPARG (0.35) TLR7TLR8GAAHTTHDAC1
SCHEMBL6105840 0.76 AGTR1 (0.37) TLR7TLR8HDAC1

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 6 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-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 68/4885JAK1 156/4885TLR8 220/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 68/4885JAK1 156/4885TLR8 220/4885

“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.