SCHEMBL11938406

SCHEMBL11938406

[2H]C([2H])([2H])C1(c2cc(-c3sc(NC(C)=O)nc3CN(C)C)ccn2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 17/20 0.42
▸ PIK3CD O00329 5/20 0.36
▸ PIK3CG P48736 5/20 0.36
▸ PIK3CB P42338 4/20 0.36
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ PIK3R1 P27986 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PIK3C3 Q8NEB9 2/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ PIK3C2A O00443 1/20 0.33
▸ PIK3C2B O00750 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL11938407 0.89 PIK3CA (0.43) PIK3CAPIK3CDPIK3CGPIK3CBADORA3
SCHEMBL11938408 0.85 PIK3CA (0.51) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL13806079 0.84 PIK3CA (0.65) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C3
SCHEMBL11938405 0.83 PIK3CA (0.59) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL942547 0.73 PIK3CA (0.61) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL13806078 0.69 PIK3CA (0.76) PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL11938399 0.68 PIK3CA (0.75) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL13060408 0.63 ADORA3 (0.54) PIK3CAPIK3CDPIK3CGPIK3CBADORA3
SCHEMBL13781900 0.62 PIK3CA (0.80) PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1938590 0.62 PIK3CA (0.50) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 — — US disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 — — 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-20100105711-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CD 3/4885PIK3CG 8/4885

“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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