SCHEMBL3972283

SCHEMBL3972283

COC(C)c1nc2c(N)nc3ccccc3c2n1CCCN

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.56
TLR8 Q9NR97 10/20 0.56
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HRH2 P25021 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
ADORA2A P29274 1/20 0.44
ADRA1A P35348 1/20 0.44
NUDT1 P36639 1/20 0.44
HTR2B P41595 1/20 0.44
PDE4D Q08499 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL5357840 0.86 TLR7 (0.52) TLR7TLR8
SCHEMBL6722296 0.85 TLR7 (0.56) TLR7TLR8LMNAPOLBHRH2
SCHEMBL8861479 0.84 TLR7 (0.65) TLR7TLR8
SCHEMBL5355295 0.83 TLR7 (0.47) TLR7TLR8
SCHEMBL12231273 0.82 TLR7 (0.68) TLR7TLR8
SCHEMBL7217048 0.82 TLR7 (0.46) TLR7TLR8
SCHEMBL3518273 0.81 TLR7 (0.61) TLR7TLR8NUDT1
SCHEMBL3865999 0.80 TLR7 (0.68) TLR7TLR8
SCHEMBL843283 0.80 TLR7 (0.63) TLR7TLR8
SCHEMBL6105356 0.79 TLR8 (0.46) TLR7TLR8LMNAPOLBHRH2

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 71/4885LMNA 4783/4885
US-20040132762-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 59/4885TLR8 71/4885LMNA 4783/4885
US-20040106638-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 59/4885TLR8 71/4885LMNA 4783/4885

“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.