SCHEMBL3969352

SCHEMBL3969352

CCCCc1nc2cnc3ccccc3c2n1CCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.46
TLR8 Q9NR97 1/20 0.46
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL3968551 0.94 TLR7 (0.47) TLR7TLR8GAAHTTLMNA
SCHEMBL3970868 0.92 TLR7 (0.48) TLR7TLR8GAAHTTLMNA
SCHEMBL3975797 0.89 TLR7 (0.53) TLR7TLR8GAAHTTPDE4A
SCHEMBL13721229 0.85 ALDH1A1 (0.45) TLR7ALDH1A1
SCHEMBL1952080 0.84 GAA (0.52) TLR7TLR8GAAHTTPDE4A
SCHEMBL3973006 0.84 TLR7 (0.67) TLR7TLR8
SCHEMBL3970481 0.83 ALDH1A1 (0.41) TLR7TLR8GAAHTTPDE4A
SCHEMBL3969529 0.83 TLR7 (0.55) TLR7TLR8GAAHTTLMNA
SCHEMBL3968369 0.81 TLR7 (0.58) TLR7TLR8GAAHTTLMNA
SCHEMBL3814801 0.81 TLR7 (0.69) 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
EP-1638566-A4 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-03-25 EP disclosed
US-7199131-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-04-03 US disclosed
EP-1638566-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-03-29 EP disclosed
US-20050197358-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-09-08 US disclosed
US-6924293-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-08-02 US disclosed
US-6888000-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-03 US disclosed
WO-2005003064-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-13 WO disclosed
WO-2005003065-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-13 WO disclosed
US-20040132762-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-08 US disclosed
US-20040106638-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-06-03 US disclosed
US-6677349-B1 INDUCE CYTOKINE BIOSYNTHESIS; ANTICARCINOGENIC AGENTS, VIRICIDES 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 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 (3 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-20050197358-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 59/4885TLR8 71/4885GAA 2938/4885
US-20040132762-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 59/4885TLR8 71/4885GAA 2938/4885
US-20040106638-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 59/4885TLR8 71/4885GAA 2938/4885

“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.