SCHEMBL737528

SCHEMBL737528

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.58
PIK3CD O00329 8/20 0.58
MTOR P42345 6/20 0.49
CHEK1 O14757 8/20 0.47
ATR Q13535 8/20 0.47
PDCD1 Q15116 8/20 0.47
ATRIP Q8WXE1 8/20 0.47
CD274 Q9NZQ7 8/20 0.47
PIK3CB P42338 1/20 0.45
PIK3CG P48736 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
SCHEMBL3602834 0.89 PIK3CA (0.61) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL739763 0.87 PIK3CA (0.71) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL738650 0.85 PIK3CA (0.72) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3594578 0.85 PIK3CA (0.61) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL737885 0.84 PIK3CA (0.74) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL737933 0.84 PIK3CA (0.83) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL738315 0.84 PIK3CA (0.68) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3591707 0.84 PIK3CD (0.59) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL13283656 0.83 PIK3CA (0.59) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL11898425 0.83 PIK3CA (0.59) PIK3CAPIK3CDMTORCHEK1ATR

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-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
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.