SCHEMBL738268

SCHEMBL738268

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.46
PIK3CA P42336 4/20 0.46
ATR Q13535 8/20 0.45
ATRIP Q8WXE1 5/20 0.45
PIK3C3 Q8NEB9 2/20 0.45
CHEK1 O14757 2/20 0.41
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
HRH4 Q9H3N8 1/20 0.40
RAF1 P04049 2/20 0.40
BRAF P15056 2/20 0.40
PDPK1 O15530 2/20 0.40
ROCK1 Q13464 2/20 0.40
AURKB Q96GD4 2/20 0.40
AURKA O14965 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL20798021 1.00 PIK3CD (0.46) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL30629327 0.90 HRH4 (0.51) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL20797856 0.90 HRH4 (0.51) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL20797828 0.88 ATR (0.45) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL20797948 0.88 PIK3CA (0.46) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL24270151 0.87 ATR (0.45) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL24270149 0.87 ATR (0.45) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL20798050 0.87 ATR (0.44) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL20798055 0.86 PIK3CA (0.44) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL30629329 0.86 PIK3CA (0.44) PIK3CDPIK3CAATRATRIPPIK3C3

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 21 patents — showing the first 20. 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-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
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
CN-101809002-A Morpholino pyrimidine derivatives for use in diseases associated with MTOR kinase and/or PI3K ASTRAZENECA AB 2010-08-18 CN 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
CN-101541781-A Morpholino pyrimidine derivatives for the treatment of proliferative diseases ASTRAZENECA AB (SE) 2009-09-23 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
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 (2 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 PIK3CD 19/4885PIK3CA 20/4885ATR 1452/4885
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K PIK3CA, MTOR, PIK3CD PIK3CD 3/4885PIK3CA 1/4885ATR 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.