SCHEMBL4322798

SCHEMBL4322798

CCc1nc2cnc3ccccc3c2n1CCCCS(=O)(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.46
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR8 Q9NR97 1/20 0.36
PDE10A Q9Y233 1/20 0.35
TSHR P16473 2/20 0.34
RECQL P46063 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
TOP2A P11388 1/20 0.34
PTK2B Q14289 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL4322445 0.97 TLR7 (0.44) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL4314425 0.89 TLR8 (0.41) TLR7MAPTSMN1; SMN2TLR8TSHR
SCHEMBL4314862 0.88 TLR8 (0.41) TLR7MAPTSMN1; SMN2TLR8TSHR
SCHEMBL4310270 0.87 TLR7 (0.47) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL4317408 0.87 TLR7 (0.52) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL5349584 0.87 TLR7 (0.52) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL4320463 0.84 TLR7 (0.50) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL5354699 0.82 TLR7 (0.47) TLR7MAPTTP53GAATLR8
SCHEMBL5352808 0.82 MAPT (0.46) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL5797746 0.82 TLR7 (0.46) TLR7MAPTTP53GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735421-B2 Imidazoquinolinyl sulfonamides 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-05-27 US disclosed
US-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY 2009-03-05 US disclosed
CN-101014596-A Imidazoquinolinylsulfonamides, imidazopyridinylsulfonamides, and imidazo-1, 5-naphthyridinylsulfonamides 3M INNOVATIVE PROPERTIES CO (US) 2007-08-08 CN disclosed
EP-1699788-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M Innovative Properties Company (US) 2006-09-13 EP disclosed
WO-2005066169-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL, AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 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 (1 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-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES IL2, EIF2AK2, IFNG TLR7 167/4885MAPT 4565/4885TP53 99/4885

“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.