SCHEMBL17035560

SCHEMBL17035560

CCCCNc1nc(C)ncc1CCc1ccccc1OC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.54
TLR8 Q9NR97 3/20 0.54
CYP1A2 P05177 1/20 0.50
GBA1 P04062 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
IP6K1 Q92551 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
SCHEMBL23472201 0.87 TLR7 (0.51) TLR7TLR8CYP1A2GBA1PDE4A
SCHEMBL17035548 0.87 TLR7 (0.64) TLR7TLR8CYP1A2
SCHEMBL17035555 0.86 FLT3 (0.43) TLR7TLR8CYP1A2
SCHEMBL20219630 0.85 TLR7 (0.44) TLR7TLR8CYP1A2GBA1
SCHEMBL17035558 0.83 TLR8 (0.54) TLR7TLR8
SCHEMBL20219757 0.81 TLR7 (0.39) TLR7TLR8CYP1A2
SCHEMBL17035556 0.80 TLR7 (0.47) TLR7TLR8CYP1A2
SCHEMBL23472202 0.79 CYP1A2 (0.51) TLR7TLR8CYP1A2
SCHEMBL23472305 0.78 TLR7 (0.44) TLR7TLR8CYP1A2
SCHEMBL20219695 0.76 ALDH1A1 (0.37) 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 2 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

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 TLR7 437/4885TLR8 842/4885CYP1A2 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.