SCHEMBL3937657

SCHEMBL3937657

C[C@H]1COCCN1c1cc(C2(S(=O)(=O)c3ccccn3)CC2)nc(-c2ccc(NC(=O)NCCCO)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.59
MTOR P42345 10/20 0.59
PIK3CD O00329 7/20 0.59
PIK3CB P42338 1/20 0.59
PIK3CG P48736 1/20 0.59
RPTOR Q8N122 2/20 0.45
MLST8 Q9BVC4 2/20 0.45
CYP3A4 P08684 1/20 0.45
KCNH2 Q12809 1/20 0.44
RICTOR Q6R327 1/20 0.44
MAPKAP1 Q9BPZ7 1/20 0.44
ATR Q13535 1/20 0.44

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
SCHEMBL3935189 0.97 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3924173 0.96 PIK3CA (0.64) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3926401 0.93 PIK3CA (0.62) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3930806 0.93 PIK3CA (0.62) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3929788 0.93 MTOR (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4215042 0.91 PIK3CA (0.65) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3927171 0.90 PIK3CA (0.62) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3924616 0.90 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3928967 0.90 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3928511 0.89 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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.