SCHEMBL17035544

SCHEMBL17035544

C=Cc1c(Cl)nc(N)nc1NCCCC

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 19/20 0.59
TLR7 Q9NYK1 8/20 0.54
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL17693700 0.89 TLR8 (0.57) TLR8TLR7
SCHEMBL2848341 0.85 TLR8 (0.52) TLR8TLR7
SCHEMBL11752787 0.82 TLR8 (0.73) TLR8TLR7L3MBTL1
SCHEMBL8695685 0.82 TLR8 (0.64) TLR8TLR7L3MBTL1
SCHEMBL19495041 0.81 TLR8 (0.71) TLR8TLR7
SCHEMBL20434302 0.79 TLR8 (0.69) TLR8TLR7L3MBTL1
SCHEMBL5175689 0.78 TLR8 (0.55) TLR8TLR7L3MBTL1
SCHEMBL17693690 0.77 TLR8 (0.58) TLR8TLR7
SCHEMBL17286240 0.76 TLR8 (0.62) TLR8TLR7L3MBTL1
SCHEMBL20434277 0.74 TLR8 (1.00) TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284304-B2 Substituted pyrimidines as toll-like receptor modulators JANSSEN SCIENCES IRELAND UC (IE) 2016-03-15 US disclosed
US-20150239872-A1 ALKYLPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UC (IE) 2015-08-27 US disclosed
US-20150239872-A1 ALKYLPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UC (IE) 2015-08-27 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-20150239872-A1 ALKYLPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES DPYD, TYMP, PNP TLR8 842/4885TLR7 437/4885L3MBTL1 2052/4885

“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.