SCHEMBL15029985

SCHEMBL15029985

CCOc1cccc2c1nc(C(F)F)n2-c1cc(N2CCOCC2)nc(NCC2CCN(C(=O)O)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.56
PIK3CB P42338 8/20 0.56
PIK3CD O00329 6/20 0.56
PIK3R1 P27986 6/20 0.56
PIK3CG P48736 2/20 0.48

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
SCHEMBL15029378 0.89 PIK3CB (0.58) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL16309714 0.88 PIK3CB (0.59) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL17529202 0.83 PIK3CA (0.59) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL15029618 0.82 PIK3CB (0.65) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL16308161 0.80 PIK3CA (0.50) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL15029345 0.80 PIK3CB (0.67) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL15029933 0.80 PIK3CB (0.45) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL15029330 0.80 PIK3CB (0.54) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL17529071 0.79 PIK3CB (0.57) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL17529045 0.79 PIK3CB (0.57) PIK3CAPIK3CBPIK3CDPIK3CG

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-20130150364-A1 HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-13 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-20130150364-A1 HETEROCYCLIC COMPOUND IL2, NFATC1, ICOS PIK3CA 28/4885PIK3CB 16/4885PIK3CD 6/4885

“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.