SCHEMBL3928907

SCHEMBL3928907

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

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.65
PIK3CA P42336 10/20 0.65
PIK3CD O00329 7/20 0.65
PIK3CB P42338 1/20 0.65
PIK3CG P48736 1/20 0.65
KCNH2 Q12809 1/20 0.48
RICTOR Q6R327 1/20 0.48
RPTOR Q8N122 1/20 0.48
MAPKAP1 Q9BPZ7 1/20 0.48
MLST8 Q9BVC4 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
SCHEMBL3925109 0.97 MTOR (0.65) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4206577 0.96 MTOR (0.65) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3937569 0.95 MTOR (0.70) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3931976 0.94 MTOR (0.62) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL13948816 0.94 MTOR (0.62) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3926421 0.94 MTOR (0.65) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3929080 0.94 MTOR (0.69) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3931314 0.93 MTOR (0.63) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3929649 0.93 PIK3CA (0.67) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3937133 0.93 MTOR (0.63) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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 MTOR 1/4885PIK3CA 2/4885PIK3CD 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.