SCHEMBL3583967

SCHEMBL3583967

CC(C)(C)ON(C=O)C1CCN(c2cc(N3CCOCC3)nc(-n3c(C(F)(F)F)nc4ccccc43)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 15/20 0.56
ATR Q13535 2/20 0.47
CHEK1 O14757 1/20 0.47
PDCD1 Q15116 1/20 0.47
ATRIP Q8WXE1 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
PIK3CA P42336 7/20 0.43
PIK3CD O00329 8/20 0.42
PIK3CG P48736 5/20 0.42
PIK3R1 P27986 3/20 0.41
PIK3C2B O00750 1/20 0.41
MTOR P42345 1/20 0.41
MAPK1 P28482 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
SCHEMBL3601338 0.90 PIK3CB (0.67) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4306313 0.81 PIK3CB (0.67) PIK3CBATRCHEK1PDCD1ATRIP
SCHEMBL3593672 0.80 PIK3CB (0.50) PIK3CBATRCHEK1PDCD1ATRIP
SCHEMBL3583966 0.80 PIK3CB (0.54) PIK3CBATRCHEK1PDCD1ATRIP
Hydrochloric Acid SCHEMBL3598484 0.80 PIK3CB (0.66) PIK3CBATRCHEK1PDCD1ATRIP
SCHEMBL3593673 0.76 PIK3CB (0.49) PIK3CBATRCHEK1PDCD1ATRIP
SCHEMBL3591348 0.76 PIK3CB (0.71) PIK3CBATRCHEK1PDCD1ATRIP
SCHEMBL3599705 0.75 PIK3CB (0.66) PIK3CBATRCHEK1PDCD1ATRIP
SCHEMBL4535605 0.74 PIK3CB (0.53) PIK3CBATRCHEK1PDCD1ATRIP
SCHEMBL4528139 0.73 PIK3CB (0.63) PIK3CBATRCHEK1PDCD1ATRIP

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 13/4885ATR 307/4885CHEK1 115/4885

“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.