SCHEMBL4097165

SCHEMBL4097165

CC(C)(C)OC(=O)c1cccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
ABCB1 P08183 1/20 0.41
SLC7A5 Q01650 1/20 0.40
GRM6 O15303 1/20 0.38
DHFR P00374 1/20 0.38
ADORA2A P29274 2/20 0.37
NUDT1 P36639 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 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
SCHEMBL4110194 0.90 ABCG2 (0.44) MAP4K4ABCG2GRM6ADORA2ANUDT1
SCHEMBL4107341 0.88 GABRG2 (0.47) MAP4K4DHFRADORA2AMAPTGABRG2
SCHEMBL4101917 0.85 NPC1 (0.50) KDM4EALDH1A1MAPTTHRBHPGD
SCHEMBL4097508 0.85 SLC7A5 (0.43) MAP4K4ABCG2ABCB1SLC7A5DHFR
SCHEMBL4102478 0.83 GRM6 (0.38) ABCG2GRM6ADORA2ANUDT1KDM4E
SCHEMBL4112827 0.82 MAP4K4 (0.41) MAP4K4ABCG2ABCB1SLC7A5DHFR
SCHEMBL4103462 0.81 AKT1 (0.46) MAP4K4DHFRADORA2ANUDT1KDM4E
SCHEMBL4106775 0.79 HPGD (0.58) MAP4K4ADORA2AKDM4EALDH1A1MAPT
SCHEMBL4096037 0.79 PIK3CD (0.47) MAP4K4
SCHEMBL4107883 0.78 ABL1 (0.45) MAP4K4ADORA2AKDM4EALDH1A1

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 MAP4K4 2166/4885ABCG2 418/4885ABCB1 585/4885

“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.