SCHEMBL4535676

SCHEMBL4535676

CN1CCN(C(=O)N2CCN(c3cc(N4CCOCC4)nc(-n4c(C(F)F)nc5ccccc54)n3)CC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.74
PIK3CD O00329 18/20 0.67
PIK3CA P42336 15/20 0.67
PIK3CG P48736 10/20 0.67
PIK3R1 P27986 4/20 0.67
PIK3C2B O00750 1/20 0.60
MTOR P42345 1/20 0.60

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
SCHEMBL2950985 0.90 PIK3CB (0.83) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2957295 0.87 PIK3CB (0.74) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2951928 0.87 PIK3CB (0.74) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2957383 0.87 PIK3CB (0.74) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4471403 0.86 PIK3CB (0.84) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4471399 0.86 PIK3CB (0.84) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL374936 0.86 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4533014 0.85 PIK3CB (0.71) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL3698274 0.85 PIK3CB (0.85) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4461786 0.85 PIK3CB (0.84) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270390-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA (SE) 2009-10-29 US claimed
US-20090270390-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA (SE) 2009-10-29 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-20090270390-A1 PYRIMIDINE DERIVATIVES TYMP, DPYD, TYMS PIK3CB 1101/4885PIK3CD 959/4885PIK3CA 523/4885

“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.