SCHEMBL17035552

SCHEMBL17035552

CCCCNc1nc(N)ncc1CCc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
TLR8 Q9NR97 15/20 0.44
TLR7 Q9NYK1 13/20 0.44
FLT3 P36888 1/20 0.41
PDE4B Q07343 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL17035559 0.87 FLT3 (0.44) L3MBTL1TLR8TLR7FLT3PDE4B
SCHEMBL23472257 0.81 L3MBTL1 (0.58) L3MBTL1TLR8TLR7
SCHEMBL17035546 0.81 TLR8 (0.62) L3MBTL1TLR8TLR7
SCHEMBL13195740 0.80 L3MBTL1 (0.57) L3MBTL1TLR8TLR7
SCHEMBL20219510 0.80 TLR8 (0.55) L3MBTL1TLR8TLR7
SCHEMBL20219632 0.79 L3MBTL1 (0.48) L3MBTL1TLR8TLR7
SCHEMBL20219655 0.78 TLR8 (0.50) L3MBTL1TLR8TLR7
SCHEMBL17035549 0.78 TLR8 (0.57) L3MBTL1TLR8TLR7
SCHEMBL23472442 0.77 TLR8 (0.52) L3MBTL1TLR8TLR7
SCHEMBL20219645 0.77 TLR8 (0.51) L3MBTL1TLR8TLR7

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 L3MBTL1 2052/4885TLR8 842/4885TLR7 437/4885

“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.