SCHEMBL4107883

SCHEMBL4107883

COc1cc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.45
PIK3CD O00329 1/20 0.45
EGFR P00533 1/20 0.45
KDR P35968 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
BACE1 P56817 1/20 0.45
PRKDC P78527 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 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 0.41
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTK6 Q13882 5/20 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
SCHEMBL4115484 0.86 ABL1 (0.41) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL4097762 0.83 ABL1 (0.42) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL4097136 0.80 DHODH (0.48) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL4101625 0.79 POLB (0.51) KDRALDH1A1KDM4EADORA1FYN
SCHEMBL4097044 0.78 ADORA1 (0.46) ALDH1A1KDM4EADORA1ADORA2ATSHR
SCHEMBL4097165 0.78 MAP4K4 (0.42) ALDH1A1KDM4EADORA2AMAP4K4
SCHEMBL4110194 0.77 ABCG2 (0.44) ALDH1A1KDM4EADORA2AMAP4K4
SCHEMBL4097602 0.76 ADORA2A (0.59) ADORA1FYNADORA2A
SCHEMBL4115794 0.75 ADORA1 (0.43) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL4107341 0.74 GABRG2 (0.47) ABL1SRCADORA2ATSHRMAP4K4

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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US 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 766/4885PIK3CD 849/4885EGFR 4010/4885

“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.