SCHEMBL4523237

SCHEMBL4523237

C[C@H]1COCCN1c1cc(-c2ccc(NC(=O)CNC(=O)OC(C)(C)C)cc2)nc(-n2c(C(F)F)nc3ccccc32)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.45
PIK3CA P42336 6/20 0.45
ATR Q13535 8/20 0.45
PDCD1 Q15116 5/20 0.45
CD274 Q9NZQ7 5/20 0.45
CHEK1 O14757 4/20 0.45
ATRIP Q8WXE1 4/20 0.45
PIK3CB P42338 7/20 0.43
PIK3CG P48736 3/20 0.43
MOK Q9UQ07 1/20 0.41

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
SCHEMBL4521616 0.88 PIK3CB (0.53) PIK3CDPIK3CAATRPDCD1CD274
SCHEMBL4781897 0.84 PDCD1 (0.52) PIK3CDPIK3CAATRPDCD1CD274
SCHEMBL4148037 0.83 PIK3CB (0.47) PIK3CDPIK3CAATRPDCD1CD274
SCHEMBL4523748 0.83 PIK3CB (0.58) PIK3CDPIK3CAATRPDCD1CD274
SCHEMBL4535546 0.82 PIK3CB (0.47) PIK3CAATRPDCD1CD274CHEK1
SCHEMBL4730672 0.80 PIK3CB (0.51) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3987588 0.79 PIK3CB (0.60) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4535561 0.79 PIK3CB (0.52) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3993035 0.79 PIK3CB (0.56) PIK3CDPIK3CAATRPDCD1CD274
SCHEMBL4533712 0.79 PIK3CB (0.59) PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325954-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-12-31 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-20090325954-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS PIK3CA, MTOR, PIK3CD PIK3CD 3/4885PIK3CA 1/4885ATR 933/4885

“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.