SCHEMBL2116755

SCHEMBL2116755

CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCCCN

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 16/20 0.54
TLR7 Q9NYK1 15/20 0.50
NUDT1 P36639 1/20 0.47
DHFR P00374 1/20 0.43

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
SCHEMBL3861997 0.94 TLR8 (0.57) TLR8TLR7NUDT1DHFR
SCHEMBL3865766 0.90 TLR8 (0.47) TLR8TLR7NUDT1DHFR
SCHEMBL3867951 0.89 TLR8 (0.47) TLR8TLR7NUDT1DHFR
SCHEMBL3861251 0.89 TLR7 (0.60) TLR8TLR7
SCHEMBL3863711 0.88 TLR7 (0.53) TLR8TLR7NUDT1
SCHEMBL6104268 0.87 TLR7 (0.57) TLR8TLR7NUDT1DHFR
SCHEMBL3867969 0.87 TLR8 (0.45) TLR8TLR7NUDT1DHFR
SCHEMBL3864119 0.87 TLR8 (0.45) TLR8TLR7NUDT1DHFR
SCHEMBL3863558 0.87 TLR7 (0.47) TLR8TLR7NUDT1DHFR
SCHEMBL3864133 0.87 TLR7 (0.48) TLR8TLR7NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846710-B2 Method of preferentially inducing the biosynthesis of interferon 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-09-30 US disclosed
US-8158794-B2 Hydroxyalkyl substituted imidazoquinoline compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-04-17 US disclosed
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-01-29 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 (4 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-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon IFNG, IFNAR1, EIF2AK2 TLR8 494/4885TLR7 194/4885NUDT1 302/4885
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods IFNG, IRF3, IFNAR1 TLR8 152/4885TLR7 27/4885NUDT1 310/4885
US-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 TLR8 220/4885TLR7 68/4885NUDT1 648/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR8 220/4885TLR7 68/4885NUDT1 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.