SCHEMBL3935141

SCHEMBL3935141

O=C(Nc1ccc(-c2nc(N3CCOCC3)cc(C3(S(=O)(=O)CCO)CC3)n2)cc1)NC1CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.50
MTOR P42345 14/20 0.50
PIK3CG P48736 11/20 0.50
PIK3CD O00329 3/20 0.50
ATR Q13535 3/20 0.50
PIK3CB P42338 1/20 0.50
GAA P10253 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
SCHEMBL4206930 0.90 ATR (0.49) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL27793998 0.90 PIK3CA (0.46) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL3929781 0.89 MTOR (0.56) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL4203804 0.89 PIK3CA (0.56) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL3929792 0.89 ATR (0.65) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL4198162 0.89 ATR (0.49) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL3937237 0.88 PIK3CA (0.63) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL3930394 0.88 PIK3CA (0.65) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL3932966 0.86 ATR (0.56) PIK3CAMTORPIK3CGPIK3CDATR
SCHEMBL3927184 0.86 ATR (0.60) PIK3CAMTORPIK3CGPIK3CDATR

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 6 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
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 1/4885PIK3CG 9/4885

“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.