SCHEMBL4535548

SCHEMBL4535548

CC(C)(C)OC(=O)N(C(=O)CN)c1ccc(-c2cc(N3CCOCC3)nc(-n3c(C(F)(F)F)nc4ccccc43)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 12/20 0.48
PIK3CA P42336 9/20 0.41
ATR Q13535 2/20 0.41
CHEK1 O14757 1/20 0.41
PDCD1 Q15116 1/20 0.41
ATRIP Q8WXE1 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
PIK3CD O00329 10/20 0.39
PIK3CG P48736 5/20 0.39
PIK3R1 P27986 2/20 0.37
MTOR P42345 1/20 0.36

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
SCHEMBL3593672 0.83 PIK3CB (0.50) PIK3CBPIK3CAATRCHEK1PDCD1
SCHEMBL4103054 0.81 PIK3CB (0.54) PIK3CBPIK3CAATRCHEK1PDCD1
SCHEMBL4535546 0.79 PIK3CB (0.47) PIK3CBPIK3CAATRCHEK1PDCD1
SCHEMBL4528139 0.76 PIK3CB (0.63) PIK3CBPIK3CAATRCHEK1PDCD1
SCHEMBL4844051 0.75 PIK3CB (0.55) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL3583966 0.74 PIK3CB (0.54) PIK3CBPIK3CAATRCHEK1PDCD1
SCHEMBL4535605 0.74 PIK3CB (0.53) PIK3CBPIK3CAATRCHEK1PDCD1
SCHEMBL4535561 0.74 PIK3CB (0.52) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL3599705 0.72 PIK3CB (0.66) PIK3CBPIK3CAATRCHEK1PDCD1
SCHEMBL3593673 0.72 PIK3CB (0.49) PIK3CBPIK3CAATRCHEK1PDCD1

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 PIK3CB 4/4885PIK3CA 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.