SCHEMBL4205457

SCHEMBL4205457

C[C@H]1COCCN1c1cc(C2(S(=O)(=O)c3ccncc3)CC2)nc(-c2ccc(NC(=O)Nc3cnn(C)c3)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.55
MTOR P42345 5/20 0.55
PIK3CD O00329 6/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
PIK3R1 P27986 1/20 0.46
ATR Q13535 2/20 0.46
CHEK1 O14757 1/20 0.46
PDCD1 Q15116 1/20 0.46
ATRIP Q8WXE1 1/20 0.46
CD274 Q9NZQ7 1/20 0.46

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
SCHEMBL3935684 0.94 MTOR (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4208810 0.93 MTOR (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3938221 0.92 MTOR (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4205053 0.92 MTOR (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3926534 0.91 MTOR (0.53) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3924610 0.91 MTOR (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4208714 0.91 MTOR (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3932814 0.90 MTOR (0.54) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3926015 0.90 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4200237 0.90 MTOR (0.59) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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 3 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

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 2/4885MTOR 1/4885PIK3CD 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.