SCHEMBL4198922

SCHEMBL4198922

C[C@H]1COC[C@H](C)N1c1cc(C2(S(=O)(=O)C3CC3)CC2)nc(-c2ccc(NC(=O)NC3CC3)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.57
MTOR P42345 9/20 0.57
PIK3CD O00329 5/20 0.57
PIK3CG P48736 2/20 0.57
PIK3CB P42338 1/20 0.57
ATR Q13535 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4196701 0.92 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4206546 0.92 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3926691 0.92 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4350034 0.92 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3929183 0.90 PIK3CA (0.71) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4208042 0.89 PIK3CD (0.60) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3935175 0.88 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3928227 0.88 PIK3CA (0.45) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3937903 0.88 PIK3CD (0.69) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4205185 0.87 PIK3CA (0.55) 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 4 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
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.