SCHEMBL3597461

SCHEMBL3597461

CC(NC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)cc(C(C)(C)S(C)(=O)=O)n2)cc1)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.68
PIK3CD O00329 9/20 0.68
NAMPT P43490 3/20 0.54
CYP2C9 P11712 2/20 0.54
MTOR P42345 3/20 0.49
CHEK1 O14757 1/20 0.48
ATR Q13535 1/20 0.48
PDCD1 Q15116 1/20 0.48
ATRIP Q8WXE1 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
PIK3R1 P27986 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
SCHEMBL3595631 0.88 PIK3CA (0.79) PIK3CAPIK3CDMTOR
SCHEMBL3589867 0.85 PIK3CA (0.76) PIK3CAPIK3CDNAMPTCYP2C9MTOR
SCHEMBL3594721 0.85 PIK3CA (0.78) PIK3CAPIK3CDMTOR
SCHEMBL3603042 0.84 PIK3CA (0.82) PIK3CAPIK3CDMTOR
SCHEMBL3602819 0.84 PIK3CA (0.83) PIK3CAPIK3CDMTOR
SCHEMBL3593835 0.83 PIK3CA (0.77) PIK3CAPIK3CDMTOR
SCHEMBL3601346 0.82 PIK3CA (0.84) PIK3CAPIK3CDMTOR
SCHEMBL3604038 0.82 PIK3CA (0.81) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3598777 0.81 PIK3CA (0.69) PIK3CAPIK3CDMTOR
SCHEMBL3595596 0.81 PIK3CA (1.00) PIK3CAPIK3CDMTOR

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 7 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
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 PIK3CA 20/4885PIK3CD 19/4885NAMPT 999/4885

“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.