SCHEMBL4096208

SCHEMBL4096208

CC(C)(C)OC(=O)n1cccc1-c1ccc2nc(N)nc(Cc3ccccc3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
TNK2 Q07912 1/20 0.40
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
MPO P05164 1/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 3/20 0.33
GLA P06280 2/20 0.33
MAPT P10636 2/20 0.33
HIF1A Q16665 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
DHFR P00374 2/20 0.33
SCN9A Q15858 1/20 0.33
SCN3A Q9NY46 1/20 0.33
THRB P10828 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL4106265 0.87 HSP90AA1 (0.55) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL4102737 0.83 HSP90AA1 (0.56) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL4102747 0.82 PIK3CD (0.42) HSP90AA1HSP90AB1PIK3CASCN9ASCN3A
SCHEMBL4101365 0.80 ROCK2 (0.38) HSP90AA1HSP90AB1MPOKDM4EALDH1A1
SCHEMBL4105012 0.79 NR1H2 (0.43) NR1H2
SCHEMBL4107629 0.79 NR1H2 (0.43) ALDH1A1ATRNR1H2
SCHEMBL4112515 0.78 ABCG2 (0.39) MPOKDM4EALDH1A1GAAHPGD
SCHEMBL4097508 0.76 SLC7A5 (0.43) TLR8TLR7DHFRMAOA
SCHEMBL4107002 0.74 ACHE (0.46) PIK3CATLR7GPR119
SCHEMBL2786895 0.71 HSP90AA1 (0.63) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA

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 3 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

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 HSP90AA1 4742/4885HSP90AB1 4606/4885TNK2 1785/4885

“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.