SCHEMBL15029282

SCHEMBL15029282

CSc1nc(O[C@H]2CC[C@H](NC(=O)O)C2)cc(-n2c(C(F)F)nc3ccccc32)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.42
PIK3CD O00329 12/20 0.39
PIK3CA P42336 10/20 0.39
PIK3CG P48736 10/20 0.39
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PIK3R1 P27986 1/20 0.36

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
SCHEMBL15029278 1.00 PIK3CB (0.42) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL15029313 0.95 PIK3CB (0.45) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL15029319 0.86 PIK3CB (0.36) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15029589 0.86 PIK3CB (0.40) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL10154242 0.85 PIK3CB (0.42) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL15029605 0.84 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029848 0.84 PIK3CB (0.42) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL15029320 0.83 PIK3CB (0.41) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL15029283 0.83 PIK3CB (0.41) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL15029838 0.82 PIK3CB (0.42) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1

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 PIK3CB 16/4885PIK3CD 6/4885PIK3CA 28/4885

“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.