SCHEMBL14729978

SCHEMBL14729978

COc1cccc(-c2cccc3cc([C@H](C)Nc4nc(N)ncc4-c4ccc(O)c(F)c4)n(-c4ccccc4)c(=O)c23)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 17/20 0.44
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PIK3CD O00329 13/20 0.40
PIK3CB P42338 4/20 0.40
PIK3R1 P27986 5/20 0.40
PIK3CA P42336 3/20 0.40
PIK3R2 O00459 4/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB11 O95342 1/20 0.38
TBXA2R P21731 1/20 0.38
HTR2A P28223 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL14726486 0.91 PIK3CG (0.47) PIK3CGADORA1PIK3CDPIK3CBPIK3R1
SCHEMBL14730042 0.90 PIK3CG (0.44) PIK3CGPIK3CDPIK3CBPIK3R1PIK3CA
SCHEMBL16119406 0.90 PIK3CG (0.44) PIK3CGADORA2AADORA1PIK3CDPIK3CB
SCHEMBL18852732 0.88 PIK3CG (0.43) PIK3CGPIK3CDPIK3CBPIK3R1PIK3CA
SCHEMBL14726841 0.88 PIK3CG (0.46) PIK3CGPIK3CDPIK3CBPIK3R1PIK3CA
SCHEMBL14726488 0.87 PIK3CD (0.52) PIK3CGPIK3CDPIK3CBPIK3R1PIK3CA
SCHEMBL14726754 0.85 PIK3CD (0.53) PIK3CGADORA2AADORA1PIK3CDPIK3CB
SCHEMBL14726848 0.85 PIK3CG (0.44) PIK3CGPIK3CDPIK3CBPIK3R1PIK3CA
SCHEMBL14729766 0.83 PIK3CD (0.55) PIK3CGADORA2AADORA1PIK3CDPIK3CB
SCHEMBL14726492 0.82 PIK3CG (0.46) PIK3CGPIK3CDPIK3CBPIK3R1PIK3CA

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-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 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-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PIK3CG 14/4885ADORA2A 1341/4885ADORA1 2275/4885

“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.