SCHEMBL825774

SCHEMBL825774

CCOCCCNc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.45
TLR8 Q9NR97 13/20 0.45
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
ATR Q13535 2/20 0.39
MAP4K4 O95819 1/20 0.39
TTK P33981 1/20 0.38

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
SCHEMBL826221 0.95 MKNK1 (0.42) TLR7TLR8MKNK1MKNK2ATR
SCHEMBL826126 0.93 TLR7 (0.47) TLR7TLR8MKNK1MKNK2ATR
SCHEMBL826144 0.89 TLR7 (0.43) TLR7TLR8MKNK1MKNK2MAP4K4
SCHEMBL823695 0.89 TLR7 (0.48) TLR7TLR8MKNK1MKNK2ATR
SCHEMBL826445 0.87 MKNK1 (0.45) MKNK1MKNK2ATRMAP4K4TTK
SCHEMBL825916 0.86 MKNK1 (0.42) TLR7TLR8MKNK1MKNK2ATR
SCHEMBL825946 0.86 MKNK1 (0.44) MKNK1MKNK2ATRMAP4K4TTK
SCHEMBL826135 0.86 MKNK1 (0.42) TLR7TLR8MKNK1MKNK2ATR
SCHEMBL825839 0.85 MKNK1 (0.44) MKNK1MKNK2ATRMAP4K4TTK
SCHEMBL823774 0.84 MKNK1 (0.43) TLR7TLR8MKNK1MKNK2ATR

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
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US claimed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
WO-2008077649-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP TLR7 1598/4885TLR8 2236/4885MKNK1 3271/4885

“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.