SCHEMBL3598929

SCHEMBL3598929

C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(N2CCC(NC(=O)Oc3ccccc3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.51
PIK3CD O00329 3/20 0.51
MTOR P42345 5/20 0.48
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
ATR Q13535 10/20 0.41
PDCD1 Q15116 10/20 0.41
CD274 Q9NZQ7 10/20 0.41
CHEK1 O14757 9/20 0.41
ATRIP Q8WXE1 9/20 0.41

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
SCHEMBL3601487 0.88 PIK3CA (0.53) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL13257107 0.86 PIK3CA (0.49) PIK3CAPIK3CDMTORCKS1BSKP1
SCHEMBL3605180 0.85 PIK3CA (0.53) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3606320 0.85 PIK3CA (0.54) PIK3CAPIK3CDCKS1BSKP1SKP2
SCHEMBL3602281 0.84 PIK3CA (0.62) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3597515 0.82 PIK3CA (0.49) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3095567 0.80 PIK3CA (0.60) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3591943 0.79 PIK3CA (0.72) PIK3CAPIK3CDMTOR
SCHEMBL3598799 0.79 PIK3CA (0.55) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL11898434 0.79 PIK3CA (0.55) PIK3CAPIK3CDMTORATRPDCD1

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-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP 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
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 (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-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR PIK3CA 20/4885PIK3CD 19/4885MTOR 3/4885

“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.