SCHEMBL2113144

SCHEMBL2113144

CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CC(C)(C)O

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.79
TLR8 Q9NR97 16/20 0.79
NUDT1 P36639 1/20 0.74

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
SCHEMBL30583332 1.00 TLR7 (0.79) TLR7TLR8NUDT1
SCHEMBL17190818 0.93 TLR7 (0.69) TLR7TLR8NUDT1
SCHEMBL3867690 0.92 TLR7 (0.74) TLR7TLR8NUDT1
SCHEMBL3863966 0.91 TLR7 (0.76) TLR7TLR8NUDT1
SCHEMBL1486698 0.90 TLR7 (0.81) TLR7TLR8NUDT1
SCHEMBL3865574 0.90 TLR7 (0.63) TLR7TLR8NUDT1
SCHEMBL3865767 0.89 TLR7 (0.80) TLR7TLR8NUDT1
SCHEMBL3862179 0.89 TLR7 (0.68) TLR7TLR8NUDT1
SCHEMBL6723995 0.88 TLR7 (1.00) TLR7TLR8NUDT1
SCHEMBL25927911 0.88 TLR7 (0.79) 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134402-B1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2020-05-06 EP disclosed
EP-3134402-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2017-03-01 EP disclosed
US-9447097-B2 4-amino-imidazoquinoline compounds HOFFMANN-LA ROCHE INC. (US) 2016-09-20 US disclosed
US-20160222010-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-08-04 US disclosed
US-9334268-B2 4-amino-imidazoquinoline compounds HOFFMAN-LA ROCHE INC. (US) 2016-05-10 US disclosed
WO-2015162075-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-29 WO disclosed
US-20150299194-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-22 US disclosed
US-8846710-B2 Method of preferentially inducing the biosynthesis of interferon 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-09-30 US disclosed
US-8658666-B2 Substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-02-25 US disclosed
US-8158794-B2 Hydroxyalkyl substituted imidazoquinoline compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-04-17 US disclosed
EP-1845988-A2 SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2007-10-24 EP disclosed
US-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-13 US disclosed
WO-2006091394-A2 SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed
WO-2006091647-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO 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
WO-2005123080-A2 NITROGEN-CONTAINING HETEROCYCLYL SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-29 WO 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 (5 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-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines IL2, IFNG, IRF3 TLR7 58/4885TLR8 136/4885NUDT1 86/4885
US-20160222010-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS TLR4, TLR1, TLR5 TLR7 4/4885TLR8 9/4885NUDT1 2019/4885
US-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 TLR7 68/4885TLR8 220/4885NUDT1 648/4885
US-20150299194-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS TLR4, TLR1, TLR5 TLR7 4/4885TLR8 9/4885NUDT1 2019/4885
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.