SCHEMBL4466345

SCHEMBL4466345

C[C@H]1COCCN1c1cc(N2CCN(C(=O)CN)CC2)nc(-n2c(C(F)F)nc3ccccc32)n1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.70
PIK3CD O00329 14/20 0.70
PIK3CA P42336 10/20 0.70
PIK3CG P48736 8/20 0.70
PIK3R1 P27986 2/20 0.56
CHEK1 O14757 1/20 0.54
ATR Q13535 1/20 0.54
PDCD1 Q15116 1/20 0.54
ATRIP Q8WXE1 1/20 0.54
CD274 Q9NZQ7 1/20 0.54

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
SCHEMBL4573091 0.96 PIK3CB (0.66) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4461786 0.91 PIK3CB (0.84) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4583877 0.87 PIK3CB (0.83) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4779382 0.87 PIK3CB (0.83) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4523748 0.86 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4471396 0.85 PIK3CB (0.84) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4465762 0.85 PIK3CB (0.65) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4469013 0.85 PIK3CB (0.65) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4528324 0.85 PIK3CB (0.67) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4117666 0.84 PIK3CB (0.55) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270390-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA (SE) 2009-10-29 US claimed
EP-2057147-A1 PYRIMIDINE DERIVATIVES Astra Zeneca AB (SE) 2009-05-13 EP claimed
WO-2008032064-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO claimed
US-20090270390-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA (SE) 2009-10-29 US disclosed
EP-2057147-A1 PYRIMIDINE DERIVATIVES Astra Zeneca AB (SE) 2009-05-13 EP disclosed
WO-2008032064-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO 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.