SCHEMBL24023234

SCHEMBL24023234

CCOC(=O)CC(C)(C)c1cc(-c2sc(N)nc2C)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 7/20 0.42
▸ PIK3CD O00329 6/20 0.42
▸ PIK3CB P42338 5/20 0.42
▸ PIK3CG P48736 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CDC7 O00311 4/20 0.37
▸ DBF4 Q9UBU7 4/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAK O14976 1/20 0.37
▸ PRKACG P22612 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HRH2 P25021 3/20 0.35
▸ HRH1 P35367 3/20 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
SCHEMBL24023416 0.85 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL24023233 0.80 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL24023370 0.80 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL24023241 0.78 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL30476425 0.78 PIK3CG (0.52) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL571475 0.78 PIK3CG (0.52) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL1939295 0.78 PIK3CG (0.39) PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1
SCHEMBL24023364 0.75 PIK3CA (0.77) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL24023374 0.75 CDC7 (0.39) ALDH1A1HPGDCDC7DBF4SMN1; SMN2
SCHEMBL15801542 0.73 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGGAK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353607-A1 PI3K INHIBITORS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2021-11-18 — — 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-20210353607-A1 PI3K INHIBITORS AND USES THEREOF PIK3CA, AKT3, GSK3B PIK3CA 1/4885PIK3CD 8/4885PIK3CB 18/4885

“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.

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