SCHEMBL24023424

SCHEMBL24023424

CCOC(=O)C(C)(C)c1cc(-c2sc(N=C(c3ccccc3)c3ccccc3)nc2C)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.38
▸ PIK3CD O00329 4/20 0.38
▸ PIK3CB P42338 3/20 0.38
▸ PIK3CG P48736 3/20 0.38
▸ CDC7 O00311 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ MAPK14 Q16539 7/20 0.35
▸ PI4KB Q9UBF8 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ FRK P42685 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ CSNK1A1 P48729 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
SCHEMBL24023335 0.91 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CGMAPK14
SCHEMBL24023370 0.87 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPIK3CGCDC7
SCHEMBL24023419 0.81 CDC7 (0.40) CDC7DBF4MAPK1LMNAHTT
SCHEMBL24023393 0.81 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL24023377 0.80 CDC7 (0.36) CDC7DBF4MAPK14PI4KBIKBKB
SCHEMBL24023416 0.79 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGCDC7
SCHEMBL24023330 0.78 OPRM1 (0.36) PIK3CAPIK3CDPIK3CBPIK3CGCDC7
SCHEMBL24023248 0.77 MAPK14 (0.37) MAPK14PI4KBIKBKBMAPK13PRKD3
SCHEMBL3085308 0.70 PIK3CD (0.52) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL24023241 0.69 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB

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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