SCHEMBL823688

SCHEMBL823688

COCCOc1nc(N)nc2ccc(-c3ccc(NC(=O)OC)cc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
PIK3CA P42336 1/20 0.37
GRM4 Q14833 2/20 0.37
ROCK2 O75116 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
MAPKAPK2 P49137 2/20 0.35
MOK Q9UQ07 1/20 0.35
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
ATR Q13535 2/20 0.35
ABL1 P00519 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
SCHEMBL4521670 0.92 MEN1 (0.44) PDE4APDE4BPDE4CPDE4DPIK3CA
SCHEMBL826238 0.91 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DCCNB2
SCHEMBL826115 0.90 GRM4 (0.39) PDE4APDE4BPDE4CPDE4DCCNB2
SCHEMBL826159 0.90 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DCCNB2
SCHEMBL823644 0.90 NPC1 (0.42) PDE4APDE4BPDE4CPDE4DPIK3CA
SCHEMBL823755 0.89 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL4528739 0.89 TP53 (0.41) PDE4APDE4BPDE4CPDE4DPIK3CA
SCHEMBL4527613 0.89 SLC2A1 (0.41) PDE4APDE4BPDE4CPDE4DPIK3CA
SCHEMBL826453 0.88 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DCCNB2
SCHEMBL4533754 0.85 MAPK10 (0.40) 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 7 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

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 PDE4A 1300/4885PDE4B 1595/4885PDE4C 1685/4885

“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.