SCHEMBL823778

SCHEMBL823778

COCCNc1nc(N)nc2ccc(-c3ccc(NC(=O)C(C)C)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.51
TLR7 Q9NYK1 13/20 0.51
CDK5 Q00535 4/20 0.44
CDK5R1 Q15078 4/20 0.44
CCNB2 O95067 3/20 0.44
CDK1 P06493 3/20 0.44
CCNB1 P14635 3/20 0.44
CCNB3 Q8WWL7 3/20 0.44
SLC2A1 P11166 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL826042 0.94 TLR8 (0.45) TLR8TLR7SLC2A1
SCHEMBL825707 0.92 TLR8 (0.42) TLR8TLR7CDK5CDK5R1CCNB2
SCHEMBL826427 0.91 TLR8 (0.41) TLR8TLR7SLC2A1NPC1RAB9A
SCHEMBL825999 0.90 TLR8 (0.40) TLR8TLR7CDK5CDK5R1CCNB2
SCHEMBL825910 0.90 TLR8 (0.42) TLR8TLR7
SCHEMBL823630 0.89 TLR7 (0.51) TLR8TLR7CDK5CDK5R1CCNB2
SCHEMBL823694 0.87 TLR8 (0.49) TLR8TLR7CDK5CDK5R1CCNB2
SCHEMBL826210 0.87 TLR8 (0.43) TLR8TLR7
SCHEMBL823727 0.86 TLR8 (0.39) TLR8TLR7SLC2A1NPC1RAB9A
SCHEMBL826325 0.85 CCNB2 (0.46) TLR8TLR7CDK5CDK5R1CCNB2

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 8 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-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
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
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 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 TLR8 2236/4885TLR7 1598/4885CDK5 1137/4885

“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.