SCHEMBL3592289

SCHEMBL3592289

CNC(=O)Nc1ccc(-c2nc(CS(=O)(=O)C(C)C)cc(N3CCOCC3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.68
PIK3CA P42336 13/20 0.68
PIK3CD O00329 5/20 0.68
PIK3CG P48736 4/20 0.58
ATR Q13535 1/20 0.49

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
SCHEMBL3600413 0.91 PIK3CA (0.82) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL3603889 0.91 PIK3CA (0.65) MTORPIK3CAPIK3CDPIK3CGATR
SCHEMBL3601878 0.90 PIK3CA (0.64) MTORPIK3CAPIK3CDPIK3CGATR
SCHEMBL3599081 0.87 PIK3CA (0.66) MTORPIK3CAPIK3CDPIK3CGATR
SCHEMBL3606339 0.87 PIK3CA (0.66) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL3592195 0.87 PIK3CA (0.70) MTORPIK3CAPIK3CD
SCHEMBL11898091 0.87 PIK3CA (0.60) MTORPIK3CAPIK3CDPIK3CGATR
SCHEMBL11925526 0.86 MTOR (0.59) MTORPIK3CAPIK3CDATR
SCHEMBL3598900 0.86 PIK3CA (0.66) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL8215054 0.85 PIK3CA (0.57) MTORPIK3CAPIK3CDPIK3CGATR

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 8 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 claimed
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
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US 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 MTOR 3/4885PIK3CA 20/4885PIK3CD 19/4885

“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.