SCHEMBL3597553

SCHEMBL3597553

C[C@H]1COCCN1c1cc(C(C)(C)S(C)(=O)=O)nc(-c2cnc(NC(=O)Oc3ccccc3)s2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.54
PIK3CD O00329 5/20 0.54
PIK3R1 P27986 2/20 0.43
ATR Q13535 12/20 0.42
CHEK1 O14757 11/20 0.42
PDCD1 Q15116 11/20 0.42
ATRIP Q8WXE1 11/20 0.42
CD274 Q9NZQ7 11/20 0.42
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
MTOR P42345 1/20 0.39

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
SCHEMBL11898385 0.86 PIK3CA (0.54) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL3598287 0.86 PIK3CA (0.54) PIK3CAPIK3CDATRCHEK1PDCD1
SCHEMBL3593342 0.86 PIK3CA (0.61) PIK3CAPIK3CDPIK3R1ATRCHEK1
SCHEMBL3608612 0.86 PIK3CA (0.58) PIK3CAPIK3CDPIK3R1ATRCHEK1
SCHEMBL3602698 0.85 PIK3CA (0.60) PIK3CAPIK3CDPIK3R1ATRCHEK1
SCHEMBL13257089 0.84 PIK3CA (0.72) PIK3CAPIK3CDMTOR
SCHEMBL3589172 0.84 PIK3CA (0.56) PIK3CAPIK3CDPIK3R1ATRCHEK1
SCHEMBL3599164 0.84 PIK3CA (0.70) PIK3CAPIK3CDPIK3R1ATRCHEK1
SCHEMBL3592176 0.82 PIK3CA (0.62) PIK3CAPIK3CDPIK3R1ATRCHEK1
SCHEMBL3592173 0.82 PIK3CA (0.62) PIK3CAPIK3CDPIK3R1ATRCHEK1

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 7 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
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

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 19/4885PIK3R1 36/4885

“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.