SCHEMBL5350816

SCHEMBL5350816

COc1ccccc1Cc1nc2c(N)nc3ccccc3c2n1CCCCC1CN(C(N)=O)CCO1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.42
TLR8 Q9NR97 1/20 0.42

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
SCHEMBL5774729 0.87 TLR7 (0.53) TLR7
SCHEMBL5350820 0.81 DRD2 (0.50) TLR7TLR8
SCHEMBL3929745 0.78 TLR7 (0.45) TLR7TLR8
SCHEMBL4755264 0.75 TLR7 (0.48) TLR7TLR8
SCHEMBL5747439 0.70 TLR7 (0.37) TLR7
SCHEMBL14592809 0.70 TLR7 (0.51) TLR7
SCHEMBL16868855 0.69 TLR7 (0.54) TLR7TLR8
SCHEMBL5616920 0.69 TLR7 (0.62) TLR7TLR8
SCHEMBL4864838 0.69 TLR7 (0.58) TLR7TLR8
SCHEMBL5616914 0.68 TLR7 (0.61) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 US disclosed
EP-1198232-B1 UREA SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-23 EP 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
US-20040167154-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-08-26 US disclosed
US-6780873-B2 FOR INDUCING CYTOKINE BIOSYNTHESIS IN ANIMALS, AND IN THE TREATMENT OF DISEASES, INCLUDING VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-08-24 US disclosed
EP-1438958-A1 Carbamate substituted imidazoquinolines 3M Innovative Properties Company (US) 2004-07-21 EP disclosed
US-20040019048-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-29 US disclosed
US-20040014754-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-22 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
US-6541485-B1 Useful as immune response modifiers; they induce the biosynthesis of various cytokines and are used to treat viral diseases and neoplastic diseases. 3M INNOVATIVE PROPERTIES COMPANY 2003-04-01 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-20040167154-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885TLR8 237/4885
US-20040019048-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885TLR8 237/4885
US-20040014754-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885TLR8 237/4885
US-20050131009-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885TLR8 237/4885

“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.