SCHEMBL3603188

SCHEMBL3603188

C[C@H]1COCCN1c1cc(C(C)(C)S(=O)(=O)c2ccccc2C(F)(F)F)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.49
PIK3CD O00329 4/20 0.49
PIK3R1 P27986 2/20 0.47
ATR Q13535 9/20 0.45
PIK3C3 Q8NEB9 1/20 0.44
CHEK1 O14757 4/20 0.44
PDCD1 Q15116 4/20 0.44
ATRIP Q8WXE1 4/20 0.44
CD274 Q9NZQ7 4/20 0.44
MTOR P42345 4/20 0.43

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 0.86 PIK3CA (0.53) PIK3CAPIK3CDPIK3R1ATRCHEK1
SCHEMBL3601594 0.84 PIK3CA (0.55) PIK3CAPIK3CDPIK3R1ATRCHEK1
SCHEMBL3597169 0.83 PIK3CA (0.47) PIK3CAPIK3CDPIK3R1ATRPIK3C3
SCHEMBL3594425 0.83 ATR (0.49) PIK3CAPIK3CDPIK3R1ATRPIK3C3
SCHEMBL3597219 0.82 PIK3CA (0.51) PIK3CAPIK3CDPIK3R1ATRCHEK1
SCHEMBL3595940 0.82 PIK3CA (0.49) PIK3CAPIK3CDPIK3R1ATRCHEK1
SCHEMBL3590480 0.82 PIK3CA (0.48) PIK3CAPIK3CDPIK3R1ATRCHEK1
SCHEMBL11898377 0.82 ATR (0.50) PIK3CAPIK3CDPIK3R1ATRCHEK1
SCHEMBL3596992 0.82 ATR (0.50) PIK3CAPIK3CDPIK3R1ATRCHEK1
SCHEMBL4201401 0.81 ATR (0.49) PIK3CAPIK3CDPIK3R1ATRATRIP

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 8 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
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 19/4885PIK3R1 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.