SCHEMBL823641

SCHEMBL823641

CC(=O)Nc1ccc(-c2ccc3nc(N)nc(N4CCS(=O)(=O)CC4)c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
MTOR P42345 2/20 0.42
JAK2 O60674 3/20 0.41
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
WDR5 P61964 1/20 0.40
PRNP P04156 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PI4KB Q9UBF8 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL823782 0.90 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DMTOR
SCHEMBL4519946 0.90 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DMTOR
SCHEMBL823729 0.89 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL823679 0.89 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMTOR
SCHEMBL4531681 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMTOR
SCHEMBL4523686 0.87 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DMTOR
SCHEMBL4519557 0.87 MTOR (0.55) PDE4APDE4BPDE4CPDE4DMTOR
SCHEMBL4513924 0.82 HRH4 (0.42) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL4534012 0.80 GAK (0.39) PDE4APDE4BPDE4CPDE4DMTOR
SCHEMBL823684 0.80 MKNK1 (0.51) PDE4APDE4BPDE4CPDE4DMEN1

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.