SCHEMBL4144573

SCHEMBL4144573

CCOCc1nc2c(N)nc3ccccc3c2n1CCCC(=O)N(C)OC

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.62
TLR7 Q9NYK1 19/20 0.60
NUDT1 P36639 1/20 0.60

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
SCHEMBL4145453 0.90 TLR7 (0.58) TLR8TLR7
SCHEMBL5616907 0.89 TLR8 (0.68) TLR8TLR7NUDT1
SCHEMBL19475660 0.88 TLR8 (0.65) TLR8TLR7NUDT1
SCHEMBL4156497 0.88 TLR8 (0.67) TLR8TLR7NUDT1
SCHEMBL4143629 0.87 TLR7 (0.60) TLR8TLR7
SCHEMBL4146104 0.86 TLR7 (0.59) TLR8TLR7
SCHEMBL14573324 0.86 TLR7 (0.59) TLR8TLR7
SCHEMBL4144360 0.86 TLR8 (0.65) TLR8TLR7NUDT1
SCHEMBL5616946 0.86 TLR8 (0.67) TLR8TLR7NUDT1
Hydrochloric Acid SCHEMBL4151951 0.86 TLR7 (0.58) TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765071-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-19 US disclosed
US-9765071-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-19 US disclosed
US-9765071-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-19 US disclosed
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-07-07 US disclosed
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-07-07 US disclosed
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-07-07 US disclosed
US-9328110-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-05-03 US disclosed
US-9328110-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-05-03 US disclosed
US-9328110-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-05-03 US disclosed
EP-1687307-B1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-01-06 EP disclosed
EP-1687307-B1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-01-06 EP disclosed
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-10 US disclosed
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-10 US disclosed
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-10 US disclosed
EP-1687307-A4 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-06-17 EP disclosed
US-20070072893-A1 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY 2007-03-29 US disclosed
US-20070072893-A1 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY 2007-03-29 US disclosed
US-20070072893-A1 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY 2007-03-29 US disclosed
EP-1687307-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M Innovative Properties Company (US) 2006-08-09 EP disclosed
WO-2005051317-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-09 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 (3 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-20070072893-A1 Substituted imidazo ring systems and methods IL2, IRF3, EIF2AK2 TLR8 131/4885TLR7 162/4885NUDT1 1793/4885
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 TLR8 137/4885TLR7 155/4885NUDT1 1387/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 TLR8 137/4885TLR7 155/4885NUDT1 1387/4885

“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.