SCHEMBL17035546

SCHEMBL17035546

CCCCNc1nc(N)ncc1CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 15/20 0.62
TLR7 Q9NYK1 13/20 0.62
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL6414963 0.96 TLR7 (0.58) TLR8TLR7CYP1A2CYP2D6L3MBTL1
SCHEMBL20219655 0.90 TLR8 (0.50) TLR8TLR7L3MBTL1
SCHEMBL23472442 0.89 TLR8 (0.52) TLR8TLR7L3MBTL1
SCHEMBL20219645 0.89 TLR8 (0.51) TLR8TLR7L3MBTL1
SCHEMBL17035550 0.88 TLR7 (0.60) TLR8TLR7CYP1A2L3MBTL1
SCHEMBL20219378 0.88 TLR7 (0.52) TLR8TLR7CYP2D6L3MBTL1
SCHEMBL20219510 0.86 TLR8 (0.55) TLR8TLR7L3MBTL1
SCHEMBL17035558 0.86 TLR8 (0.54) TLR8TLR7L3MBTL1
SCHEMBL20219632 0.85 L3MBTL1 (0.48) TLR8TLR7L3MBTL1
SCHEMBL23472257 0.85 L3MBTL1 (0.58) TLR8TLR7L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 EP disclosed
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 437/4885CYP1A2 822/4885

“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.