SCHEMBL3597188

SCHEMBL3597188

C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(-c2ccc(N)nc2)n1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 9/20 0.73
CD274 Q9NZQ7 9/20 0.73
ATR Q13535 8/20 0.73
CHEK1 O14757 7/20 0.73
ATRIP Q8WXE1 7/20 0.73
PIK3CA P42336 12/20 0.68
PIK3CD O00329 5/20 0.68
MTOR P42345 10/20 0.67
PIK3R1 P27986 4/20 0.56
RICTOR Q6R327 4/20 0.56
RPTOR Q8N122 4/20 0.56
MAPKAP1 Q9BPZ7 4/20 0.56
MLST8 Q9BVC4 4/20 0.56
PIK3CB P42338 1/20 0.56
PIK3CG P48736 1/20 0.56
PIK3C3 Q8NEB9 1/20 0.56
ATM Q13315 1/20 0.52

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
SCHEMBL11898393 1.00 PDCD1 (0.73) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL739897 0.88 PIK3CA (0.72) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL4529862 0.85 PIK3CA (0.72) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL3600666 0.85 PIK3CA (0.70) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL20651534 0.85 ATR (1.00) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL3592836 0.84 PIK3CA (0.69) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL3590946 0.84 PIK3CA (0.69) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL3051750 0.83 PIK3CA (0.77) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL3061831 0.83 PIK3CA (0.81) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL3605555 0.83 PDCD1 (0.71) PDCD1CD274ATRCHEK1ATRIP

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 9 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
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
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 PDCD1 474/4885CD274 420/4885ATR 1452/4885

“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.