SCHEMBL17035548

SCHEMBL17035548

CCCCNc1nc(N)ncc1CCc1ccccc1OC

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.64
TLR8 Q9NR97 7/20 0.64
CYP1A2 P05177 4/20 0.60
CYP2D6 P10635 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL15470063 0.88 TLR7 (0.61) TLR7TLR8CYP1A2CYP2D6L3MBTL1
SCHEMBL17035560 0.87 TLR7 (0.54) TLR7TLR8CYP1A2
SCHEMBL23472363 0.87 TLR7 (0.54) TLR7TLR8CYP1A2CYP2D6L3MBTL1
SCHEMBL20219577 0.87 TLR7 (0.49) TLR7TLR8CYP1A2CYP2D6L3MBTL1
SCHEMBL17035547 0.86 CSF1R (0.52) TLR7TLR8CYP1A2CYP2D6L3MBTL1
SCHEMBL20219510 0.84 TLR8 (0.55) TLR7TLR8L3MBTL1
SCHEMBL20219637 0.84 TLR7 (0.51) TLR7TLR8CYP1A2CYP2D6L3MBTL1
SCHEMBL20219632 0.83 L3MBTL1 (0.48) TLR7TLR8L3MBTL1
SCHEMBL17035546 0.83 TLR8 (0.62) TLR7TLR8CYP1A2CYP2D6L3MBTL1
SCHEMBL20219412 0.82 TLR7 (0.46) TLR7TLR8CYP1A2CYP2D6L3MBTL1

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 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.