SCHEMBL740079

SCHEMBL740079

C[C@H]1COCCN1c1cc(C(C)(C)S(=O)(=O)c2ccccc2)nc(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.53
PIK3CD O00329 4/20 0.53
ATR Q13535 14/20 0.49
CHEK1 O14757 10/20 0.43
PDCD1 Q15116 10/20 0.43
ATRIP Q8WXE1 10/20 0.43
CD274 Q9NZQ7 10/20 0.43
PIK3R1 P27986 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL3597219 0.92 PIK3CA (0.51) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL11898377 0.91 ATR (0.50) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL3596992 0.91 ATR (0.50) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL3594425 0.90 ATR (0.49) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL3595940 0.87 PIK3CA (0.49) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL3590480 0.87 PIK3CA (0.48) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL3603188 0.86 PIK3CA (0.49) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL24173907 0.86 PIK3CA (0.63) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL11898379 0.86 PIK3CA (0.63) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL738503 0.86 PIK3CA (0.63) PIK3CAPIK3CDATRCHEK1PDCD1

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-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

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 3/4885ATR 1100/4885

“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.