SCHEMBL3937475

SCHEMBL3937475

N#CCCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)cc(C3(S(=O)(=O)c4ccc(F)cc4)CC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.54
MTOR P42345 10/20 0.54
PIK3CD O00329 4/20 0.48
PIK3CG P48736 5/20 0.47
ATR Q13535 3/20 0.45
PIK3CB P42338 2/20 0.43
LMNA P02545 1/20 0.41
PIK3R1 P27986 1/20 0.40
HDAC3 O15379 1/20 0.39
CYP3A4 P08684 1/20 0.39
AKT1 P31749 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL3935128 0.93 ATR (0.52) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL3927778 0.92 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL3927932 0.89 MTOR (0.56) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3936091 0.89 PIK3CA (0.62) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL3937382 0.88 ATR (0.60) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL27815280 0.86 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL3932094 0.86 MTOR (0.60) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL4206131 0.84 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL4196219 0.84 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL3936867 0.83 ATR (0.55) PIK3CAMTORPIK3CDPIK3CGATR

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.