SCHEMBL3603107

SCHEMBL3603107

C[C@H]1COCCN1c1cc(C(C)(C)S(C)(=O)=O)nc(-c2cc(F)c(NC(=O)NCc3cnn(C)c3)c(F)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.61
PIK3CD O00329 10/20 0.61
PIK3R1 P27986 2/20 0.44
MTOR P42345 3/20 0.43
PDCD1 Q15116 5/20 0.40
CD274 Q9NZQ7 5/20 0.40
CHEK1 O14757 4/20 0.40
ATR Q13535 4/20 0.40
ATRIP Q8WXE1 4/20 0.40

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
SCHEMBL3601236 0.89 PIK3CA (0.62) PIK3CAPIK3CDPIK3R1MTORPDCD1
SCHEMBL3603640 0.89 PIK3CA (0.78) PIK3CAPIK3CDMTOR
SCHEMBL3590087 0.88 PIK3CA (0.77) PIK3CAPIK3CDPIK3R1MTORPDCD1
SCHEMBL3605461 0.87 PIK3CA (0.65) PIK3CAPIK3CDPIK3R1MTORPDCD1
SCHEMBL3605640 0.86 PIK3CA (0.64) PIK3CAPIK3CDPIK3R1MTORPDCD1
SCHEMBL3592699 0.84 PIK3CA (0.66) PIK3CAPIK3CDPIK3R1MTORPDCD1
SCHEMBL3594263 0.84 PIK3CA (0.56) PIK3CAPIK3CDPIK3R1MTORPDCD1
SCHEMBL3602917 0.84 PIK3CA (0.61) PIK3CAPIK3CDPIK3R1MTORPDCD1
SCHEMBL8222567 0.82 MAPK1 (0.40) PIK3CAPIK3CDPIK3R1
SCHEMBL3607771 0.80 PIK3CA (0.51) PIK3CAPIK3CDPIK3R1PDCD1CD274

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 claimed
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.