SCHEMBL4523893

SCHEMBL4523893

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCN(C(=O)CN)CC2)n1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.77
PIK3CA P42336 18/20 0.77
PIK3CG P48736 2/20 0.77
PIK3CD O00329 3/20 0.72
PIK3R1 P27986 3/20 0.72

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
SCHEMBL31156977 0.90 PIK3CA (0.77) PIK3CBPIK3CAPIK3CGPIK3CDPIK3R1
SCHEMBL31156984 0.90 PIK3CB (0.77) PIK3CBPIK3CAPIK3CGPIK3CDPIK3R1
SCHEMBL31156986 0.90 PIK3CA (0.76) PIK3CBPIK3CAPIK3CGPIK3CDPIK3R1
SCHEMBL31156995 0.89 PIK3CA (0.77) PIK3CBPIK3CAPIK3CGPIK3CDPIK3R1
SCHEMBL31156982 0.88 PIK3CA (0.72) PIK3CBPIK3CAPIK3CGPIK3CDPIK3R1
SCHEMBL3568141 0.88 PIK3CB (1.00) PIK3CBPIK3CAPIK3CGPIK3CDPIK3R1
SCHEMBL31156993 0.88 PIK3CB (0.78) PIK3CBPIK3CAPIK3CGPIK3CDPIK3R1
SCHEMBL31156989 0.88 PIK3CA (0.71) PIK3CBPIK3CAPIK3CGPIK3CDPIK3R1
SCHEMBL4526879 0.86 PIK3CB (0.76) PIK3CBPIK3CAPIK3CGPIK3CDPIK3R1
SCHEMBL909918 0.86 PIK3CB (0.83) PIK3CBPIK3CAPIK3CGPIK3CDPIK3R1

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 3 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

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 1101/4885PIK3CA 523/4885PIK3CG 1233/4885

“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.