Sugi Predict

Sugi Predict / Compounds / SCHEMBL4096037

SCHEMBL4096037

SCHEMBL4096037

CC(C)(C)OC(=O)n1ccc2cc(-c3ccc4nc(N)nc(-c5ccccc5)c4n3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.47
▸ ABL1 P00519 2/20 0.47
▸ EGFR P00533 2/20 0.47
▸ HCK P08631 2/20 0.47
▸ SRC P12931 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ PIK3CA P42336 2/20 0.47
▸ PIK3CB P42338 2/20 0.47
▸ MTOR P42345 2/20 0.47
▸ PIK3CG P48736 2/20 0.47
▸ EPHB4 P54760 2/20 0.47
▸ PRKDC P78527 2/20 0.47
▸ PI4KB Q9UBF8 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ TNK2 Q07912 1/20 0.37
▸ ACLY P53396 1/20 0.36
▸ MAP2K4 P45985 1/20 0.36

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
SCHEMBL4102747 0.86 PIK3CD (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL4115799 0.83 PIK3CA (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL4102737 0.82 HSP90AA1 (0.56) PIK3CAHSP90AA1HSP90AB1TNK2SCN3A
SCHEMBL4113446 0.79 HSD11B1 (0.48) PIK3CDABL1SRCMAP4K4
SCHEMBL4097165 0.79 MAP4K4 (0.42) MAP4K4
SCHEMBL2458509 0.78 ACLY (0.52) PIK3CDABL1EGFRHCKSRC
SCHEMBL4110194 0.78 ABCG2 (0.44) MAP4K4PARP1
SCHEMBL4107971 0.77 SCD (0.41) HSP90AA1HSP90AB1TNK2MAP4K4CKS1B
SCHEMBL4112341 0.76 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL4359122 0.76 PIK3CD (0.47) PIK3CDABL1EGFRHCKSRC

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-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 PIK3CD 849/4885ABL1 766/4885EGFR 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.