SCHEMBL825831

SCHEMBL825831

COC(=O)Nc1ccc(-c2ccc3nc(N)nc(NCCOC(C)(C)C)c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
TLR8 Q9NR97 17/20 0.41
TLR7 Q9NYK1 17/20 0.41
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MAP4K4 O95819 1/20 0.35

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
SCHEMBL823630 0.90 TLR7 (0.51) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL825654 0.90 MAPT (0.39) TLR8TLR7PDE4APDE4BPDE4C
SCHEMBL825999 0.89 TLR8 (0.40) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL826325 0.88 CCNB2 (0.46) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL825736 0.88 CCNB2 (0.42) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL826241 0.87 TLR8 (0.43) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL826432 0.87 TLR7 (0.45) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL823619 0.85 TLR8 (0.40) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL826113 0.84 TLR8 (0.44) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL823694 0.81 TLR8 (0.49) CCNB2CDK1CCNB1CDK5CDK5R1

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 CCNB2 1579/4885CDK1 2142/4885CCNB1 2513/4885

“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.