SCHEMBL4206131

SCHEMBL4206131

Cc1csc(S(=O)(=O)C2(c3cc(N4CCOCC4)nc(-c4ccc(NC(=O)NCCC#N)cc4)n3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.48
PIK3CD O00329 4/20 0.48
ATR Q13535 3/20 0.44
MTOR P42345 14/20 0.44
PIK3CG P48736 4/20 0.42
PIK3CB P42338 1/20 0.42

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
SCHEMBL4203443 0.92 MTOR (0.51) PIK3CAPIK3CDATRMTORPIK3CG
SCHEMBL3928570 0.92 PIK3CA (0.52) PIK3CAPIK3CDATRMTORPIK3CG
SCHEMBL4200999 0.90 MTOR (0.54) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL4197826 0.90 PIK3CA (0.59) PIK3CAPIK3CDATRMTORPIK3CG
SCHEMBL3928892 0.88 MTOR (0.51) PIK3CAPIK3CDATRMTORPIK3CG
SCHEMBL4207009 0.88 MTOR (0.53) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3937382 0.87 ATR (0.60) PIK3CAPIK3CDATRMTORPIK3CG
SCHEMBL3935128 0.86 ATR (0.52) PIK3CAPIK3CDATRMTORPIK3CG
SCHEMBL3932956 0.86 ATR (0.48) PIK3CAPIK3CDATRMTORPIK3CG
SCHEMBL3928847 0.85 ATR (0.47) PIK3CAPIK3CDATRMTORPIK3CG

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 2 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

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 4/4885ATR 1185/4885

“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.