SCHEMBL24023233

SCHEMBL24023233

CCOC(=O)CC(C)(C)c1cc(-c2sc(NC(=O)OCC(Cl)(Cl)Cl)nc2C)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 13/20 0.49
▸ PIK3CD O00329 10/20 0.49
▸ PIK3CG P48736 8/20 0.49
▸ PIK3CB P42338 7/20 0.49
▸ PI4KB Q9UBF8 3/20 0.43
▸ GAK O14976 1/20 0.43
▸ PRKACG P22612 1/20 0.43
▸ PIK3R1 P27986 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC6 Q9UBN7 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PIK3C2A O00443 1/20 0.38
▸ PIK3C2B O00750 1/20 0.38
▸ PI4KA P42356 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.38
▸ CFTR P13569 1/20 0.37

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
SCHEMBL24023234 0.80 PIK3CA (0.42) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL24023364 0.78 PIK3CA (0.77) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL3490772 0.76 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL3490628 0.74 PIK3CA (0.52) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL24023370 0.73 PIK3CA (0.37) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL1938991 0.72 PIK3CD (0.56) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL571448 0.71 PIK3CG (0.71) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL3490009 0.70 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL24023232 0.68 PIK3CA (0.54) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL3782912 0.68 KMT2A (0.46) PI4KBMEN1HTTKMT2AALDH1A1

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 8/4885PIK3CG 13/4885

“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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