SCHEMBL3593673

SCHEMBL3593673

CC(C)(C)OC(=O)NCC(=O)NC1CCN(c2cc(N3CCOCC3)nc(-n3c(C(F)(F)F)nc4ccccc43)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 8/20 0.49
PIK3CA P42336 6/20 0.43
PIK3CD O00329 2/20 0.43
ATR Q13535 2/20 0.43
CHEK1 O14757 1/20 0.43
PDCD1 Q15116 1/20 0.43
ATRIP Q8WXE1 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
PIK3CG P48736 1/20 0.41
ACACB O00763 2/20 0.40
ACACA Q13085 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39

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
SCHEMBL3583966 0.92 PIK3CB (0.54) PIK3CBPIK3CAPIK3CDATRCHEK1
SCHEMBL4535605 0.87 PIK3CB (0.53) PIK3CBPIK3CAPIK3CDATRCHEK1
SCHEMBL3599705 0.85 PIK3CB (0.66) PIK3CBPIK3CAPIK3CDATRCHEK1
SCHEMBL4535546 0.84 PIK3CB (0.47) PIK3CBPIK3CAATRCHEK1PDCD1
SCHEMBL4729576 0.82 PIK3CB (0.67) PIK3CBPIK3CAPIK3CDATRCHEK1
SCHEMBL3601337 0.81 PIK3CB (0.67) PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL3593672 0.79 PIK3CB (0.50) PIK3CBPIK3CAPIK3CDATRCHEK1
SCHEMBL4779006 0.79 PIK3CB (0.66) PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL10153923 0.78 PIK3CB (0.54) PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL10124354 0.77 PIK3CD (0.73) PIK3CBPIK3CAPIK3CDPIK3CG

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-20100022534-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA (GB) 2010-01-28 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-20100022534-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS MTOR, PIK3CA, PIK3CD PIK3CB 13/4885PIK3CA 2/4885PIK3CD 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.