SCHEMBL17190032

SCHEMBL17190032

CCCCOc1nc(N)c2nc(Br)n(Cc3ccc(OCC(=O)N(C)C)nc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.49
IL6 P05231 4/20 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
SCHEMBL17190033 0.89 TLR7 (0.48) TLR7IL6
SCHEMBL15432959 0.86 TLR7 (0.47) TLR7IL6
SCHEMBL4134349 0.86 TLR7 (0.54) TLR7IL6
SCHEMBL15432951 0.86 TLR7 (0.40) TLR7
SCHEMBL4135343 0.86 TLR7 (0.53) TLR7IL6
SCHEMBL13849545 0.85 TLR7 (0.52) TLR7IL6
SCHEMBL17190034 0.85 TLR7 (0.47) TLR7IL6
SCHEMBL21076667 0.81 TLR7 (0.70) TLR7
SCHEMBL4468323 0.80 TLR7 (0.57) TLR7
SCHEMBL17190031 0.79 TLR7 (0.50) TLR7IL6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2015-10-22 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 (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-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, HPRT1, UMPS TLR7 316/4885IL6 804/4885

“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.