SCHEMBL3929609

SCHEMBL3929609

C[C@H]1COCCN1c1cc(C2(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc(-c2ccc(NC(=O)NC(C)(C)CO)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.53
PIK3CD O00329 7/20 0.53
MTOR P42345 4/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
ATR Q13535 4/20 0.43
TAF1 P21675 1/20 0.43
PIK3R1 P27986 1/20 0.43
PRKDC P78527 1/20 0.43
KCNH2 Q12809 1/20 0.43
ATM Q13315 1/20 0.43
ATRIP Q8WXE1 1/20 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
SCHEMBL4201758 0.92 PIK3CA (0.57) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3926120 0.91 PIK3CA (0.53) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3930135 0.91 PIK3CA (0.62) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3929026 0.91 PIK3CA (0.63) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3926457 0.91 PIK3CA (0.52) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3935361 0.90 PIK3CA (0.56) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3926169 0.90 PIK3CA (0.57) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3935075 0.90 PIK3CA (0.56) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL4196918 0.89 PIK3CA (0.51) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3938365 0.89 PIK3CA (0.53) PIK3CAPIK3CDMTORPIK3CBPIK3CG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 PIK3CA 2/4885PIK3CD 4/4885MTOR 1/4885

“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.