SCHEMBL738650

SCHEMBL738650

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

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.72
PIK3CD O00329 8/20 0.72
ATR Q13535 9/20 0.55
PDCD1 Q15116 9/20 0.55
CD274 Q9NZQ7 9/20 0.55
CHEK1 O14757 8/20 0.55
ATRIP Q8WXE1 8/20 0.55
PIK3R1 P27986 2/20 0.53
MTOR P42345 4/20 0.52
ATM Q13315 1/20 0.49

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
SCHEMBL3594578 0.92 PIK3CA (0.61) PIK3CAPIK3CDATRPDCD1CD274
SCHEMBL3591707 0.90 PIK3CD (0.59) PIK3CAPIK3CDATRPDCD1CD274
SCHEMBL3602834 0.90 PIK3CA (0.61) PIK3CAPIK3CDATRPDCD1CD274
SCHEMBL11898425 0.89 PIK3CA (0.59) PIK3CAPIK3CDATRPDCD1CD274
SCHEMBL3606397 0.89 PIK3CA (0.59) PIK3CAPIK3CDATRPDCD1CD274
SCHEMBL2814000 0.89 PIK3CA (0.61) PIK3CAPIK3CDATRPDCD1CD274
SCHEMBL740453 0.89 PIK3CA (0.60) PIK3CAPIK3CDATRPDCD1CD274
SCHEMBL3606254 0.89 PIK3CD (0.57) PIK3CAPIK3CDATRPDCD1CD274
SCHEMBL3605555 0.89 PDCD1 (0.71) PIK3CAPIK3CDATRPDCD1CD274
SCHEMBL3595582 0.88 PIK3CD (0.56) PIK3CAPIK3CDATRPDCD1CD274

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 18 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
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
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
EP-2057140-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-13 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
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 PIK3CA 20/4885PIK3CD 19/4885ATR 1452/4885
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.