SCHEMBL13806164

SCHEMBL13806164

[2H]C([2H])([2H])C1(c2cc(-c3cnc(NC(=O)N4CCC[C@@]4(C)C(N)=O)s3)ccn2)CCC1

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 20/20 0.88
▸ PIK3CD O00329 2/20 0.46
▸ PIK3CB P42338 2/20 0.46
▸ PIK3CG P48736 2/20 0.46
▸ PIK3C3 Q8NEB9 1/20 0.46
▸ PI4KB Q9UBF8 1/20 0.46

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
SCHEMBL13781749 0.95 PIK3CA (0.98) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL13781973 0.94 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL13782341 0.86 PIK3CA (0.82) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL13782718 0.86 PIK3CA (0.82) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL13806078 0.86 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL13782192 0.84 PIK3CA (0.85) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL13782162 0.83 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL13806079 0.82 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL13782073 0.82 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL13782759 0.82 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3

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-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 — — 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-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CD 3/4885PIK3CB 4/4885

“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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