SCHEMBL4201757

SCHEMBL4201757

C[C@H]1COCCN1c1cc(COS(C)(=O)=O)nc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.60
PIK3CD O00329 9/20 0.60
MTOR P42345 8/20 0.59
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
CHEK1 O14757 2/20 0.47
ATR Q13535 2/20 0.47
PDCD1 Q15116 2/20 0.47
ATRIP Q8WXE1 2/20 0.47
CD274 Q9NZQ7 2/20 0.47

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
SCHEMBL4214704 0.91 PIK3CA (0.51) PIK3CAPIK3CDMTORCD274
SCHEMBL761613 0.90 PIK3CA (0.74) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL8090036 0.88 PIK3CA (0.59) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL13970152 0.88 PIK3CA (0.60) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3588167 0.88 PIK3CA (0.68) PIK3CAPIK3CDMTOR
SCHEMBL4201695 0.88 PIK3CA (0.58) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3595284 0.87 PIK3CA (0.67) PIK3CAPIK3CDMTOR
SCHEMBL3596960 0.87 PIK3CA (0.62) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL11926803 0.87 PIK3CA (0.62) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL8218848 0.86 PIK3CA (0.61) PIK3CAPIK3CDMTORPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 PIK3CA 2/4885PIK3CD 4/4885MTOR 1/4885

“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.