SCHEMBL4007119

SCHEMBL4007119

C[C@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2ccc(NC(=O)Nc3ncco3)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 0.58
PIK3CA P42336 10/20 0.56
PIK3CD O00329 6/20 0.56
MTOR P42345 6/20 0.56
PIK3CB P42338 1/20 0.56
PIK3CG P48736 1/20 0.56
ATRIP Q8WXE1 4/20 0.51
TAF1 P21675 3/20 0.51
PRKDC P78527 2/20 0.51
KCNH2 Q12809 2/20 0.51
PIK3R1 P27986 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL4004378 0.91 PIK3CA (0.53) ATRPIK3CAPIK3CDMTORPIK3CB
SCHEMBL4202058 0.89 PIK3CA (0.60) ATRPIK3CAPIK3CDMTORPIK3CB
SCHEMBL3935287 0.89 PIK3CA (0.60) ATRPIK3CAPIK3CDMTORPIK3CB
SCHEMBL3926791 0.88 PIK3CA (0.59) ATRPIK3CAPIK3CDMTORPIK3CB
SCHEMBL3930597 0.88 PIK3CA (0.59) ATRPIK3CAPIK3CDMTORPIK3CB
SCHEMBL3927526 0.88 PIK3CA (0.61) ATRPIK3CAPIK3CDMTORPIK3CB
SCHEMBL3935345 0.87 PIK3CA (0.58) ATRPIK3CAPIK3CDMTORPIK3CB
SCHEMBL4212037 0.87 PIK3CA (0.55) ATRPIK3CAPIK3CDMTORPIK3CB
SCHEMBL4198813 0.86 PIK3CA (0.56) ATRPIK3CAPIK3CDMTORPIK3CB
SCHEMBL4194325 0.86 PIK3CA (0.56) ATRPIK3CAPIK3CDMTORPIK3CB

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 ATR 1185/4885PIK3CA 2/4885PIK3CD 4/4885

“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.