SCHEMBL4197854

SCHEMBL4197854

C[C@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2ccc(NC(=O)Oc3ccccc3)c(F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.51
MTOR P42345 5/20 0.51
PIK3CA P42336 4/20 0.51
ATRIP Q8WXE1 4/20 0.51
KCNH2 Q12809 3/20 0.51
TAF1 P21675 3/20 0.51
PRKDC P78527 2/20 0.51
PIK3R1 P27986 1/20 0.51
ATM Q13315 1/20 0.51
PIK3CD O00329 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47

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
SCHEMBL3937238 0.89 PIK3CA (0.56) ATRMTORPIK3CAATRIPKCNH2
SCHEMBL3931121 0.87 ATR (0.54) ATRMTORPIK3CAATRIPKCNH2
SCHEMBL3935424 0.86 PIK3CA (0.55) ATRMTORPIK3CAATRIPKCNH2
SCHEMBL3929795 0.86 PIK3CA (0.53) ATRMTORPIK3CAATRIPKCNH2
SCHEMBL3936117 0.86 PIK3CA (0.53) ATRMTORPIK3CAATRIPKCNH2
SCHEMBL8097440 0.85 PIK3CA (0.52) ATRMTORPIK3CAATRIPKCNH2
SCHEMBL3926655 0.85 PIK3CA (0.58) ATRMTORPIK3CAATRIPKCNH2
SCHEMBL3925323 0.85 ATR (0.52) ATRMTORPIK3CAATRIPKCNH2
SCHEMBL4195278 0.84 PIK3CA (0.52) ATRMTORPIK3CAATRIPKCNH2
SCHEMBL4200053 0.84 ATR (0.50) ATRMTORPIK3CAATRIPKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ATR 1185/4885MTOR 1/4885PIK3CA 2/4885

“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.