SCHEMBL825916

SCHEMBL825916

CC(C)OCCNc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
TLR8 Q9NR97 11/20 0.42
TLR7 Q9NYK1 11/20 0.42
ATR Q13535 2/20 0.40
TTK P33981 3/20 0.40
MAP4K4 O95819 1/20 0.39
MAPK14 Q16539 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
SCHEMBL823695 0.92 TLR7 (0.48) MKNK1MKNK2TLR8TLR7ATR
SCHEMBL826221 0.89 MKNK1 (0.42) MKNK1MKNK2TLR8TLR7ATR
SCHEMBL826144 0.88 TLR7 (0.43) MKNK1MKNK2TLR8TLR7TTK
SCHEMBL826135 0.88 MKNK1 (0.42) MKNK1MKNK2TLR8TLR7ATR
SCHEMBL826126 0.88 TLR7 (0.47) MKNK1MKNK2TLR8TLR7ATR
SCHEMBL825774 0.86 TLR7 (0.45) MKNK1MKNK2TLR8TLR7ATR
SCHEMBL826067 0.86 MKNK1 (0.44) MKNK1MKNK2ATRTTKMAP4K4
SCHEMBL823774 0.85 MKNK1 (0.43) MKNK1MKNK2TLR8TLR7ATR
SCHEMBL825824 0.83 TLR8 (0.42) MKNK1MKNK2TLR8TLR7TTK
SCHEMBL823813 0.82 MKNK1 (0.45) MKNK1MKNK2ATRTTKMAP4K4

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 MKNK1 3271/4885MKNK2 3173/4885TLR8 2236/4885

“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.