SCHEMBL4313003

SCHEMBL4313003

CCOCc1nc2cnc3ccccc3c2n1CCCCCCl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.46
TLR7 Q9NYK1 10/20 0.43
NUDT1 P36639 1/20 0.42
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4308938 0.99 TLR8 (0.47) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL6099996 0.95 TLR8 (0.49) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL4308135 0.89 TLR8 (0.54) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL3168166 0.89 TLR8 (0.46) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL8326936 0.89 TLR8 (0.53) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL4319537 0.89 TLR8 (0.48) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL4792464 0.88 TLR7 (0.48) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL6723768 0.87 TLR8 (0.48) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL4320713 0.86 TLR8 (0.43) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL5352808 0.86 MAPT (0.46) TLR8TLR7TSHRMEN1KMT2A

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 4 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
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 TLR8 106/4885TLR7 167/4885NUDT1 1301/4885

“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.