SCHEMBL1614839

SCHEMBL1614839

CC(C)Cn1c(COCC(=O)O)nc2c(N)nc3ccccc3c21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.61
TLR8 Q9NR97 7/20 0.61
NUDT1 P36639 2/20 0.57
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HRH2 P25021 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2A P28223 1/20 0.49
ADORA2A P29274 1/20 0.49
ADRA1A P35348 1/20 0.49
HTR2B P41595 1/20 0.49
PDE4D Q08499 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL6024967 0.87 TLR7 (0.63) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL29977522 0.87 TLR7 (0.74) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL893024 0.87 TLR7 (0.74) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL1490402 0.85 TLR7 (0.65) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL6723566 0.85 TLR7 (0.65) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL12150475 0.84 TLR7 (0.57) TLR7TLR8NUDT1LMNAPOLB
Hydrochloric Acid SCHEMBL4519914 0.84 TLR7 (0.64) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL5453031 0.83 TLR7 (0.62) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL1490612 0.82 TLR7 (0.71) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL4526385 0.82 TLR7 (0.57) TLR7TLR8NUDT1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923560-B2 Associated with typically attached to and, preferably, covalently attached to macromolecular support, e.g. a gel, foam, sponge, fiber, hydrogel, and a bead.; controlled drug delivery; retension of localized biological activity; toll-like receptors agonists to induce cytokine and interferon synthesis 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-04-12 US disclosed
EP-1617871-A2 DELIVERY OF IMMUNE RESPONSE MODIFIER COMPOUNDS USING METAL-CONTAINING PARTICULATE SUPPORT MATERIALS 3M Innovative Properties Company (US) 2006-01-25 EP disclosed
EP-1615665-A2 DELIVERY OF IMMUNE RESPONSE MODIFIER COMPOUNDS 3M Innovative Properties Company (US) 2006-01-18 EP disclosed
US-20040258698-A1 Delivery of immune response modifier compounds 3M INNOVATIVE PROPERTIES COMPANY 2004-12-23 US disclosed
WO-2004108072-A2 DELIVERY OF IMMUNE RESPONSE MODIFIER COMPOUNDS USING METAL-CONTAINING PARTICULATE SUPPORT MATERIALS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-12-16 WO disclosed
WO-2004091500-A2 DELIVERY OF IMMUNE RESPONSE MODIFIER COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-10-28 WO disclosed
US-20040202720-A1 Delivery of immune response modifier compounds using metal-containing particulate support materials 3M INNOVATIVE PROPERTIES COMPANY 2004-10-14 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 (2 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-20040258698-A1 Delivery of immune response modifier compounds MIF, IRF3, CLEC4M TLR7 126/4885TLR8 51/4885NUDT1 4064/4885
US-20040202720-A1 Delivery of immune response modifier compounds using metal-containing particulate support materials MIF, IRF3, IRF2BP2 TLR7 131/4885TLR8 99/4885NUDT1 4048/4885

“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.