SCHEMBL4097754

SCHEMBL4097754

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.57
PIK3CA P42336 16/20 0.54
PIK3CD O00329 16/20 0.54
PIK3CG P48736 15/20 0.54
MTOR P42345 2/20 0.51
PIK3R1 P27986 2/20 0.49
PIK3C2B O00750 1/20 0.49

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
SCHEMBL4533118 0.90 PIK3CB (0.54) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL4537915 0.89 PIK3CB (0.59) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL4530218 0.88 PIK3CB (0.52) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4838764 0.85 PIK3CB (0.58) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL3987613 0.84 PIK3CB (0.70) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL4532249 0.81 PIK3CB (0.62) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL13606677 0.80 PIK3CB (0.81) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL13606679 0.80 PIK3CB (0.71) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL948269 0.80 PIK3CB (0.58) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL3987588 0.79 PIK3CB (0.60) PIK3CBPIK3CAPIK3CDPIK3CGMTOR

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 4 patents. 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 claimed
EP-2061784-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-27 EP claimed
WO-2008032086-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PHENYLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed
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 1/4885PIK3CD 3/4885

“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.