SCHEMBL3864546

SCHEMBL3864546

NOCc1nc2c(N)nc3ccccc3c2n1CCCNC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.54
TLR8 Q9NR97 10/20 0.51
NUDT1 P36639 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
SCHEMBL3867005 0.95 TLR8 (0.52) TLR7TLR8NUDT1
SCHEMBL1948775 0.89 TLR8 (0.66) TLR7TLR8NUDT1
SCHEMBL3876362 0.88 TLR7 (0.57) TLR7TLR8
SCHEMBL3872419 0.86 TLR7 (0.52) TLR7TLR8NUDT1
SCHEMBL3866140 0.86 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL1951975 0.85 TLR7 (0.64) TLR7TLR8
SCHEMBL1950699 0.85 TLR7 (0.65) TLR7TLR8
SCHEMBL7223949 0.85 TLR7 (0.60) TLR7TLR8
SCHEMBL1950143 0.84 TLR7 (0.72) TLR7TLR8
SCHEMBL7217183 0.84 TLR7 (0.58) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682544-A4 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2009-05-06 EP disclosed
US-20090105295-A1 HYDROXYLAMINE SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-04-23 US disclosed
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. 2009-02-12 US disclosed
EP-1685129-A4 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-10-22 EP disclosed
EP-1685129-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-08-02 EP disclosed
EP-1682544-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-07-26 EP disclosed
WO-2005048945-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 WO disclosed
WO-2005048933-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 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 (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-20090105295-A1 HYDROXYLAMINE SUBSTITUTED IMIDAZOQUINOLINES IL2, IL4, IFNG TLR7 54/4885TLR8 140/4885NUDT1 143/4885
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES IFNG, IL2, IRF3 TLR7 33/4885TLR8 88/4885NUDT1 997/4885

“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.