SCHEMBL3864353

SCHEMBL3864353

CCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CC1CCN(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.44
TLR8 Q9NR97 5/20 0.40
NLRP3 Q96P20 2/20 0.39
DHFR P00374 1/20 0.37

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
SCHEMBL3873592 0.94 TLR7 (0.49) TLR7TLR8NLRP3
SCHEMBL3865822 0.92 TLR7 (0.51) TLR7TLR8DHFR
SCHEMBL3872266 0.90 KDM1A (0.46) TLR7TLR8NLRP3
SCHEMBL13645622 0.86 TLR7 (0.45) TLR7TLR8NLRP3DHFR
SCHEMBL1753875 0.85 TLR7 (0.40) TLR7TLR8NLRP3
Hydrochloric Acid SCHEMBL3862202 0.85 TLR7 (0.45) TLR7TLR8NLRP3DHFR
SCHEMBL30345977 0.84 TLR7 (0.48) TLR7TLR8NLRP3
SCHEMBL483395 0.84 TLR7 (0.48) TLR7TLR8NLRP3
SCHEMBL3866052 0.84 KDM1A (0.45) TLR7TLR8NLRP3
SCHEMBL1753804 0.83 TLR7 (0.40) TLR7TLR8NLRP3

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 68/4885TLR8 220/4885NLRP3 578/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 68/4885TLR8 220/4885NLRP3 578/4885

“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.