SCHEMBL842045

SCHEMBL842045

CC(C)(O)Cn1c(N)nc2c(N)nc3ccccc3c21

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.69
TLR8 Q9NR97 9/20 0.69
NUDT1 P36639 1/20 0.68

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
Bromide SCHEMBL842727 0.99 TLR7 (0.68) TLR7TLR8NUDT1
SCHEMBL29395659 0.88 TLR7 (0.68) TLR7TLR8NUDT1
SCHEMBL964316 0.88 TLR7 (0.68) TLR7TLR8NUDT1
SCHEMBL29136625 0.87 TLR7 (0.67) TLR7TLR8NUDT1
Hydrochloric Acid SCHEMBL4674684 0.87 TLR7 (0.67) TLR7TLR8NUDT1
SCHEMBL841894 0.87 TLR7 (0.55) TLR7TLR8NUDT1
Bromide SCHEMBL842593 0.86 TLR7 (0.54) TLR7TLR8NUDT1
SCHEMBL8570489 0.86 TLR7 (0.79) TLR7TLR8NUDT1
SCHEMBL5471062 0.86 TLR7 (0.76) TLR7TLR8NUDT1
SCHEMBL31126374 0.86 TLR7 (0.76) TLR7TLR8NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 TLR7 110/4885TLR8 262/4885NUDT1 781/4885

“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.