SCHEMBL739797

SCHEMBL739797

C[C@H]1COCCN1c1cc(C(C)(C)S(C)(=O)=O)nc(-c2ccc(NC(=S)NC3CC3)cc2)n1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.78
PIK3CD O00329 14/20 0.78
MTOR P42345 3/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
CHEK1 O14757 1/20 0.45
ATR Q13535 1/20 0.45
PDCD1 Q15116 1/20 0.45
ATRIP Q8WXE1 1/20 0.45
CD274 Q9NZQ7 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
SCHEMBL10266969 1.00 PIK3CA (0.78) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3597171 0.91 PIK3CA (0.79) PIK3CAPIK3CDMTOR
SCHEMBL736648 0.91 PIK3CA (0.81) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL737940 0.91 PIK3CA (0.65) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL738012 0.89 PIK3CA (0.61) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL738603 0.89 PIK3CA (0.85) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL738315 0.89 PIK3CA (0.68) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3597731 0.88 PIK3CA (0.77) PIK3CAPIK3CDMTOR
SCHEMBL738520 0.87 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3592644 0.87 PIK3CA (0.75) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176238-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2012-04-18 EP claimed
US-8138183-B2 Morpholino pyrimidine derivatives used in diseases linked to mTOR kinase and/or PI3K ASTRAZENECA AB (SE) 2012-03-20 US claimed
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2010-09-30 US claimed
EP-2176238-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K AstraZeneca AB (SE) 2010-04-21 EP claimed
WO-2009007750-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2009-01-15 WO claimed
EP-2176238-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2012-04-18 EP disclosed
US-8138183-B2 Morpholino pyrimidine derivatives used in diseases linked to mTOR kinase and/or PI3K ASTRAZENECA AB (SE) 2012-03-20 US disclosed
US-8138183-B2 Morpholino pyrimidine derivatives used in diseases linked to mTOR kinase and/or PI3K ASTRAZENECA AB (SE) 2012-03-20 US disclosed
US-8138183-B2 Morpholino pyrimidine derivatives used in diseases linked to mTOR kinase and/or PI3K ASTRAZENECA AB (SE) 2012-03-20 US disclosed
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2010-09-30 US disclosed
EP-2176238-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K AstraZeneca AB (SE) 2010-04-21 EP disclosed
WO-2009007750-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
WO-2009007750-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2009-01-15 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-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K PIK3CA, MTOR, PIK3CD PIK3CA 1/4885PIK3CD 3/4885MTOR 2/4885

“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.