SCHEMBL739318

SCHEMBL739318

CC(C)[Si](OCCCS(=O)(=O)Cc1cc(N2CCOC[C@@H]2C)nc(Cl)n1)(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.42
PIK3CD O00329 3/20 0.42
MTOR P42345 4/20 0.41
ATR Q13535 11/20 0.39
ATRIP Q8WXE1 10/20 0.39
PDCD1 Q15116 9/20 0.37
CD274 Q9NZQ7 9/20 0.37
CHEK1 O14757 8/20 0.37
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36

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
SCHEMBL4202437 0.95 PIK3CA (0.43) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL1706234 0.84 PIK3CA (0.48) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL738597 0.84 PIK3CA (0.48) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL739891 0.82 PIK3CA (0.42) PIK3CAPIK3CDATRATRIPPDCD1
SCHEMBL3596174 0.82 PIK3CA (0.50) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL4194712 0.82 ATR (0.44) PIK3CAMTORATRATRIP
SCHEMBL2493212 0.81 PIK3CA (0.51) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL2493217 0.81 PIK3CA (0.51) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL3596412 0.81 PIK3CA (0.51) PIK3CAPIK3CDMTORATRATRIP
SCHEMBL4201704 0.80 ATR (0.41) PIK3CAMTORATRATRIP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US 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 (3 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 PIK3CA 2/4885PIK3CD 4/4885MTOR 1/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR PIK3CA 20/4885PIK3CD 19/4885MTOR 3/4885
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.