SCHEMBL1919728

SCHEMBL1919728

CCC[C@H](C)Oc1nc2nc(OC)nc-2c(N)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.33
TLR7 Q9NYK1 5/20 0.31
TLR8 Q9NR97 3/20 0.31

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
Trifluoroacetic Acid SCHEMBL2202675 0.89 S1PR4 (0.30)
Trifluoroacetic Acid SCHEMBL2197595 0.89 S1PR4 (0.30)
SCHEMBL1839728 0.83
Trifluoroacetic Acid SCHEMBL566855 0.73
SCHEMBL12157560 0.64 TLR7 (0.40) MCHR1TLR7TLR8
SCHEMBL12157746 0.64 TLR7 (0.40) MCHR1TLR7TLR8
Trifluoroacetic Acid SCHEMBL2200150 0.64 HCAR2 (0.31)
SCHEMBL27832649 0.59 DDAH1 (0.46)
SCHEMBL30194747 0.59 MCHR1 (0.31) MCHR1
SCHEMBL10121637 0.57 TLR7 (0.41) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575181-B2 Purine derivatives for use in the treatment of allergic, inflammatory and infectious diseases GLAXOSMITHKLINE LLC (US) 2013-11-05 US disclosed
EP-2326646-B1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2013-07-31 EP disclosed
US-20110135670-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2011-06-09 US disclosed
EP-2326646-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES Smithkline Beecham Corporation (US) 2011-06-01 EP disclosed
WO-2010018130-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
EP-2125792-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
WO-2008101867-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-08-28 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-20110135670-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES IFNAR1, IFNG, STING1 MCHR1 2572/4885TLR7 19/4885TLR8 130/4885

“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.