SCHEMBL3929862

SCHEMBL3929862

CC(C)(CO)NC(=O)Nc1ccc(-c2nc(N3CCOCC3)cc(C3(S(C)(=O)=O)CCCC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATR Q13535 15/20 0.60
PIK3CA P42336 5/20 0.52
MTOR P42345 4/20 0.52
PIK3CD O00329 3/20 0.52
PIK3CB P42338 1/20 0.44
PIK3CG P48736 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
SCHEMBL4007814 0.97 ATR (0.64) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL3930080 0.92 PIK3CA (0.54) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL3925377 0.90 PIK3CA (0.54) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL3928271 0.89 PIK3CA (0.57) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL3924088 0.88 PIK3CA (0.57) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL3928846 0.88 ATR (0.64) ATRPIK3CAMTORPIK3CDPIK3CG
SCHEMBL3930234 0.87 ATR (0.59) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL3936112 0.87 PIK3CA (0.57) ATRPIK3CAMTORPIK3CDPIK3CB
SCHEMBL3924449 0.86 ATR (0.64) ATRPIK3CAMTORPIK3CDPIK3CG
SCHEMBL3936757 0.86 ATR (0.57) ATRPIK3CAMTORPIK3CDPIK3CB

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 ATR 1185/4885PIK3CA 2/4885MTOR 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.