SCHEMBL4097684

SCHEMBL4097684

CCCc1nc(N)nc2ccc(-c3cnn(C(=O)OC(C)(C)C)c3)nc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
SCD O00767 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 1/20 0.33
SLC2A1 P11166 1/20 0.32
DPP4 P27487 1/20 0.32
MAP4K4 O95819 1/20 0.32
MAPKAPK2 P49137 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL4101365 0.86 ROCK2 (0.38) ROCK2SCDHSP90AA1HSP90AB1DPP4
SCHEMBL4107971 0.82 SCD (0.41) ROCK2SCDHSP90AA1HSP90AB1MAP4K4
SCHEMBL4100948 0.80 CA12 (0.39) HSP90AA1KDM4EALDH1A1GLAGAA
SCHEMBL4115799 0.79 PIK3CA (0.44) PIK3CAMTORHSP90AA1HSP90AB1MAP4K4
SCHEMBL4106265 0.78 HSP90AA1 (0.55) PIK3CAHSP90AA1HSP90AB1MAP4K4MAPKAPK2
SCHEMBL4103470 0.78 PIK3CA (0.41) PIK3CAMTORMAPT
SCHEMBL4112827 0.77 MAP4K4 (0.41) MAP4K4KDM4EALDH1A1GLAGAA
SCHEMBL4105825 0.76 PIK3CA (0.46) SCDPIK3CAMTORMAP4K4MAPT
SCHEMBL4112371 0.75 MAP4K4 (0.47) PIK3CAMAP4K4
SCHEMBL4097644 0.74 KDM4E (0.37) HSP90AA1KDM4EALDH1A1GLAGAA

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 5 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
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 ROCK2 4651/4885SCD 3333/4885PIK3CA 588/4885

“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.