SCHEMBL4552165

SCHEMBL4552165

COCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CNC(=O)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.51
TLR8 Q9NR97 5/20 0.51
NUDT1 P36639 1/20 0.48

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
SCHEMBL31006037 0.89 TLR7 (0.59) TLR7TLR8NUDT1
SCHEMBL483693 0.89 TLR7 (0.59) TLR7TLR8NUDT1
SCHEMBL18610766 0.86 TLR7 (0.54) TLR7TLR8NUDT1
Hydrochloric Acid SCHEMBL18588110 0.85 TLR7 (0.53) TLR7TLR8NUDT1
SCHEMBL5354266 0.85 TLR7 (0.63) TLR7
SCHEMBL18610768 0.85 TLR7 (0.57) TLR7TLR8NUDT1
SCHEMBL5800432 0.84 TLR7 (0.60) TLR7TLR8
SCHEMBL5353603 0.84 TLR7 (0.59) TLR7TLR8
SCHEMBL29714531 0.83 TLR7 (0.55) TLR7TLR8
SCHEMBL4338064 0.83 TLR7 (0.55) TLR7TLR8

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651190-B1 FORMULATIONS CONTAINING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2012-09-19 EP claimed
EP-1651190-A4 FORMULATIONS CONTAINING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2009-07-15 EP claimed
US-20070292456-A1 Formulations Containing an Immune Response Modifier 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-20 US claimed
EP-1651190-A2 FORMULATIONS CONTAINING AN IMMUNE RESPONSE MODIFIER 3M Innovative Properties Company (US) 2006-05-03 EP claimed
WO-2005016275-A2 FORMULATIONS CONTAINING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-02-24 WO claimed
US-20040019048-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-29 US claimed
US-6573273-B1 Imidazoquinoline and tetrahydroimidazoquinoline compounds that contain urea, thiourea, acylurea, or sulfonylurea functionality at the 1-position are useful as immune response modifiers. The compounds and compositions of the invention can 3M INNOVATIVE PROPERTIES COMPANY 2003-06-03 US claimed
EP-1651190-B1 FORMULATIONS CONTAINING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2012-09-19 EP disclosed
US-8221771-B2 Formulations containing an immune response modifier 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-07-17 US disclosed
EP-1651190-A4 FORMULATIONS CONTAINING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2009-07-15 EP disclosed
US-20070292456-A1 Formulations Containing an Immune Response Modifier 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-20 US disclosed
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 US disclosed
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 US disclosed
US-20050131009-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-06-16 US disclosed
US-6897221-B2 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-24 US disclosed
WO-2005016275-A2 FORMULATIONS CONTAINING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-02-24 WO disclosed
US-6784188-B2 ADMINISTERING TO A MAMMAL 1H-IMIDAZO(4,5-C)QUINOLINE RING CONTAINING COMPOUND FOR THE TREATMENT OF DISEASES, INCLUDING VIRAL AND NEOPLSATIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-08-31 US disclosed
US-20040167154-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-08-26 US disclosed
US-20040019048-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-29 US disclosed
US-6573273-B1 Imidazoquinoline and tetrahydroimidazoquinoline compounds that contain urea, thiourea, acylurea, or sulfonylurea functionality at the 1-position are useful as immune response modifiers. The compounds and compositions of the invention can 3M INNOVATIVE PROPERTIES COMPANY 2003-06-03 US 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-20070292456-A1 Formulations Containing an Immune Response Modifier IFNG, IRF3, ICOS TLR7 18/4885TLR8 28/4885NUDT1 1398/4885
US-20040167154-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885TLR8 237/4885NUDT1 28/4885
US-20040019048-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885TLR8 237/4885NUDT1 28/4885
US-20050131009-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885TLR8 237/4885NUDT1 28/4885

“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.