SCHEMBL737810

SCHEMBL737810

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.55
PIK3CD O00329 8/20 0.55
CHEK1 O14757 7/20 0.48
ATR Q13535 7/20 0.48
PDCD1 Q15116 7/20 0.48
ATRIP Q8WXE1 7/20 0.48
CD274 Q9NZQ7 7/20 0.48
MTOR P42345 4/20 0.46
PDPK1 O15530 2/20 0.46
ROCK1 Q13464 2/20 0.46
AURKB Q96GD4 2/20 0.46
AURKA O14965 1/20 0.46

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
SCHEMBL2811564 0.88 PIK3CA (0.47) PIK3CAPIK3CDCHEK1ATRPDCD1
SCHEMBL3723251 0.87 PDCD1 (0.56) PIK3CAPIK3CDCHEK1ATRPDCD1
SCHEMBL3723256 0.87 PDCD1 (0.56) PIK3CAPIK3CDCHEK1ATRPDCD1
SCHEMBL738650 0.85 PIK3CA (0.72) PIK3CAPIK3CDCHEK1ATRPDCD1
SCHEMBL11925340 0.85 PIK3CA (0.49) PIK3CAPIK3CDCHEK1ATRPDCD1
SCHEMBL3594578 0.85 PIK3CA (0.61) PIK3CAPIK3CDCHEK1ATRPDCD1
SCHEMBL740070 0.84 PIK3CA (0.64) PIK3CAPIK3CDMTOR
SCHEMBL3591707 0.84 PIK3CD (0.59) PIK3CAPIK3CDCHEK1ATRPDCD1
SCHEMBL3602834 0.84 PIK3CA (0.61) PIK3CAPIK3CDCHEK1ATRPDCD1
SCHEMBL13283656 0.83 PIK3CA (0.59) PIK3CAPIK3CDCHEK1ATRPDCD1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101809002-B Morpholino pyrimidine derivatives for use in diseases associated with MTOR kinase and/or PI3K ASTRAZENECA AB 2013-03-27 CN disclosed
EP-2176238-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2012-04-18 EP disclosed
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
CN-101809002-A Morpholino pyrimidine derivatives for use in diseases associated with MTOR kinase and/or PI3K ASTRAZENECA AB 2010-08-18 CN 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 3/4885CHEK1 201/4885

“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.