SCHEMBL4535546

SCHEMBL4535546

CC(C)(C)OC(=O)NCC(=O)Nc1ccc(-c2cc(N3CCOCC3)nc(-n3c(C(F)(F)F)nc4ccccc43)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.47
MOK Q9UQ07 4/20 0.45
RAF1 P04049 9/20 0.43
BRAF P15056 9/20 0.43
AKT1 P31749 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
CHEK1 O14757 1/20 0.40
ATR Q13535 1/20 0.40
PDCD1 Q15116 1/20 0.40
ATRIP Q8WXE1 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CSF1R P07333 1/20 0.40
PRKDC P78527 1/20 0.40

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
SCHEMBL4103054 0.86 PIK3CB (0.54) PIK3CBMOKRAF1BRAFPIK3CA
SCHEMBL3593673 0.84 PIK3CB (0.49) PIK3CBPIK3CACHEK1ATRPDCD1
SCHEMBL4535605 0.84 PIK3CB (0.53) PIK3CBPIK3CACHEK1ATRPDCD1
SCHEMBL4523237 0.82 PIK3CD (0.45) PIK3CBMOKPIK3CACHEK1ATR
SCHEMBL4264279 0.82 PIK3CB (0.43) PIK3CBMOKPIK3CAMTOR
SCHEMBL4730672 0.81 PIK3CB (0.51) PIK3CBAKT1PIK3CAMTOR
SCHEMBL4844051 0.81 PIK3CB (0.55) PIK3CBMOKPIK3CAMTOR
SCHEMBL4535548 0.79 PIK3CB (0.48) PIK3CBPIK3CAMTORCHEK1ATR
SCHEMBL4535561 0.79 PIK3CB (0.52) PIK3CBPIK3CAMTOR
SCHEMBL3987588 0.79 PIK3CB (0.60) PIK3CBPIK3CAMTOR

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 4/4885MOK 875/4885RAF1 219/4885

“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.