SCHEMBL3584580

SCHEMBL3584580

C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(-c2ccc(NC(=O)N3CCC3)c(F)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.62
PIK3CD O00329 8/20 0.62
MTOR P42345 8/20 0.60
PDCD1 Q15116 7/20 0.45
CD274 Q9NZQ7 7/20 0.45
ATR Q13535 6/20 0.45
CHEK1 O14757 5/20 0.45
ATRIP Q8WXE1 5/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL3597176 0.89 PIK3CA (0.66) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL3592839 0.88 PIK3CA (0.63) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL3598719 0.88 PIK3CA (0.63) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL3597940 0.88 PIK3CA (0.76) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL3596999 0.88 PIK3CA (0.78) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL3601441 0.86 PIK3CA (0.76) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL3601981 0.86 PIK3CA (0.69) PIK3CAPIK3CDMTOR
SCHEMBL3602988 0.86 PIK3CA (0.71) PIK3CAPIK3CDMTOR
SCHEMBL3600550 0.84 PIK3CA (0.67) PIK3CAPIK3CDMTORPDCD1CD274
SCHEMBL3592690 0.84 PIK3CA (0.77) PIK3CAPIK3CDMTORPDCD1CD274

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 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.