SCHEMBL3603932

SCHEMBL3603932

CC(C)(c1cc(N2CCOCC2)nc(-c2ccc(NC(=O)O)cc2)n1)S(C)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.61
PIK3CD O00329 7/20 0.61
MTOR P42345 9/20 0.54
ATR Q13535 1/20 0.53
PIK3CG P48736 5/20 0.51
NPSR1 Q6W5P4 1/20 0.50
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4262466 0.92 PIK3CA (0.53) PIK3CAPIK3CDMTORATRPIK3CG
SCHEMBL13257087 0.92 PIK3CA (0.63) PIK3CAPIK3CDMTORATRPIK3CG
SCHEMBL3602214 0.90 PIK3CA (0.63) PIK3CAPIK3CDMTORATRPIK3CG
SCHEMBL8213908 0.89 PIK3CA (0.57) PIK3CAPIK3CDMTORATRPIK3CG
SCHEMBL3602666 0.88 PIK3CA (0.77) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3596872 0.87 PIK3CA (0.62) PIK3CAPIK3CDMTORATRPIK3CG
SCHEMBL3604038 0.86 PIK3CA (0.81) PIK3CAPIK3CDMTORATRPIK3CG
SCHEMBL3609044 0.84 PIK3CA (0.63) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL3592954 0.84 PIK3CA (0.63) PIK3CAPIK3CDMTORPIK3CGCYP2C9
SCHEMBL3600812 0.84 PIK3CA (0.58) PIK3CAPIK3CDMTORATRPIK3CG

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-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
EP-2057140-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-13 EP disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 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-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR PIK3CA 20/4885PIK3CD 19/4885MTOR 3/4885

“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.