SCHEMBL24023236

SCHEMBL24023236

CCOC(=O)C1(c2cc(-c3sc(N)nc3C)ccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PIK3CA P42336 6/20 0.40
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ CDC7 O00311 4/20 0.37
▸ DBF4 Q9UBU7 4/20 0.37
▸ HRH2 P25021 3/20 0.36
▸ HRH1 P35367 3/20 0.36
▸ HRH4 Q9H3N8 3/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HPGD P15428 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ PLK1 P53350 1/20 0.34

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
SCHEMBL1938764 0.82 PIK3CA (0.48) MEN1KMT2APIK3CAPIK3CDPIK3CB
SCHEMBL24023330 0.80 OPRM1 (0.36) PIK3CAPIK3CDPIK3CBPIK3CGCDC7
SCHEMBL24023235 0.77 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1059811 0.77 PIK3CA (0.48) MEN1KMT2APIK3CAPIK3CDPIK3CB
SCHEMBL30476481 0.77 PIK3CA (0.48) MEN1KMT2APIK3CAPIK3CDPIK3CB
SCHEMBL24023286 0.75 PIK3CA (0.72) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL24023374 0.75 CDC7 (0.39) MEN1KMT2ACDC7DBF4HRH2
SCHEMBL24023416 0.74 PIK3CA (0.43) MEN1KMT2APIK3CAPIK3CDPIK3CB
SCHEMBL9988666 0.73 OPRM1 (0.41) —
SCHEMBL1938188 0.73 PIK3CA (0.55) MEN1KMT2APIK3CAPIK3CDPIK3CB

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 MEN1 3603/4885KMT2A 4596/4885MAPK1 102/4885

“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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