SCHEMBL3595940

SCHEMBL3595940

C[C@H]1COCCN1c1cc(C(C)(C)S(=O)(=O)c2ccccn2)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.49
PIK3CD O00329 4/20 0.49
ATR Q13535 13/20 0.46
PDE4D Q08499 1/20 0.43
ATRIP Q8WXE1 7/20 0.42
PDCD1 Q15116 7/20 0.42
CD274 Q9NZQ7 7/20 0.42
CHEK1 O14757 6/20 0.42
PIK3R1 P27986 2/20 0.42

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
SCHEMBL740079 0.87 PIK3CA (0.53) PIK3CAPIK3CDATRATRIPPDCD1
SCHEMBL8217236 0.85 PIK3CA (0.44) PIK3CAATRATRIPPIK3R1
SCHEMBL3596992 0.84 ATR (0.50) PIK3CAPIK3CDATRATRIPPDCD1
SCHEMBL11898377 0.84 ATR (0.50) PIK3CAPIK3CDATRATRIPPDCD1
SCHEMBL3598491 0.84 PIK3CD (0.56) PIK3CAPIK3CDATRATRIPPDCD1
SCHEMBL3597219 0.83 PIK3CA (0.51) PIK3CAPIK3CDATRATRIPPDCD1
SCHEMBL3603188 0.82 PIK3CA (0.49) PIK3CAPIK3CDATRATRIPPDCD1
SCHEMBL24173907 0.82 PIK3CA (0.63) PIK3CAPIK3CDATRATRIPPDCD1
SCHEMBL11898379 0.82 PIK3CA (0.63) PIK3CAPIK3CDATRATRIPPDCD1
SCHEMBL738503 0.82 PIK3CA (0.63) PIK3CAPIK3CDATRATRIPPDCD1

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 19/4885ATR 1452/4885

“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.