SCHEMBL3936096

SCHEMBL3936096

C[C@H]1COCCN1c1cc(C2(S(C)(=O)=O)CCOCC2)nc(-c2ccc(NC(=O)NCCN(C)C)cc2)n1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.73
MTOR P42345 9/20 0.73
PIK3CD O00329 7/20 0.59
PIK3CG P48736 2/20 0.59
PIK3CB P42338 1/20 0.59
ATR Q13535 3/20 0.49
TAF1 P21675 1/20 0.48
PIK3R1 P27986 1/20 0.48
PRKDC P78527 1/20 0.48
KCNH2 Q12809 1/20 0.48
ATM Q13315 1/20 0.48
ATRIP Q8WXE1 1/20 0.48

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
SCHEMBL3926539 0.97 PIK3CA (0.75) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3935877 0.96 PIK3CA (0.73) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3929606 0.96 PIK3CA (0.73) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3936122 0.94 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3935758 0.93 PIK3CA (0.69) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3927838 0.92 PIK3CA (0.72) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3938239 0.91 PIK3CA (0.72) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3929931 0.91 PIK3CA (0.71) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3931995 0.90 PIK3CA (0.65) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3924455 0.89 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
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
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 2/4885MTOR 1/4885PIK3CD 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.