SCHEMBL4097762

SCHEMBL4097762

CCCc1nc(N)nc2ccc(-c3ccc(NC(=O)OC(C)(C)C)c(OC)c3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
PIK3CG P48736 1/20 0.42
BACE1 P56817 1/20 0.42
PRKDC P78527 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
SRC P12931 3/20 0.40
PTK6 Q13882 5/20 0.39
HTT P42858 1/20 0.38
FYN P06241 1/20 0.38
SREBF2 Q12772 1/20 0.38
AAK1 Q2M2I8 3/20 0.37
MAPKAPK2 P49137 2/20 0.37

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
SCHEMBL4115484 0.87 ABL1 (0.41) ABL1PIK3CAPIK3CDEGFRKDR
SCHEMBL4107883 0.83 ABL1 (0.45) ABL1PIK3CAPIK3CDEGFRKDR
SCHEMBL4100875 0.81 PDE4A (0.42) PIK3CAPDE4APDE4BPDE4CPDE4D
SCHEMBL4107041 0.79 GAA (0.42) PIK3CAPDE4APDE4BPDE4CPDE4D
SCHEMBL4106840 0.79 ALDH1A1 (0.43) PIK3CAPDE4APDE4BPDE4CPDE4D
SCHEMBL4100948 0.77 CA12 (0.39) ALDH1A1
SCHEMBL4112827 0.77 MAP4K4 (0.41) ALDH1A1MAP4K4
SCHEMBL4102852 0.76 DHFR (0.49)
SCHEMBL4107886 0.75 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3756714 0.75 NOS1 (0.46) ABL1PIK3CAPIK3CDEGFRKDR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD ABL1 766/4885PIK3CA 588/4885PIK3CD 849/4885

“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.