SCHEMBL10080210

SCHEMBL10080210

CC(N[S@@+]([O-])C(C)(C)C)c1cc2cccnc2nc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.37
DHODH Q02127 1/20 0.33
ADORA2A P29274 5/20 0.32
MAPK14 Q16539 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MET P08581 1/20 0.31
SLC40A1 Q9NP59 1/20 0.30

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
SCHEMBL15302654 1.00 PIK3CG (0.37) PIK3CGDHODHADORA2AMAPK14PIK3CD
SCHEMBL9953062 1.00 PIK3CG (0.37) PIK3CGDHODHADORA2AMAPK14PIK3CD
SCHEMBL20061319 0.83 PIK3CG (0.47) PIK3CGPIK3CD
SCHEMBL20081337 0.83 PIK3CG (0.47) PIK3CGPIK3CD
SCHEMBL20068031 0.83 PIK3CG (0.47) PIK3CGPIK3CD
SCHEMBL28561171 0.83 PIK3CG (0.47) PIK3CGPIK3CD
SCHEMBL9223901 0.77 DHODH (0.42) PIK3CGDHODHMAPK14METSLC40A1
SCHEMBL9959092 0.75 DHODH (0.40) PIK3CGDHODHADORA2AMAPK14MET
SCHEMBL9953063 0.74 DHODH (0.33) DHODHPIK3CD
SCHEMBL9959766 0.74 DHODH (0.35) DHODHADORA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN, INC. (CA) 2013-10-10 US disclosed
US-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN, INC. (CA) 2013-10-10 US disclosed
US-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN, INC. (CA) 2013-10-10 US disclosed
WO-2012087784-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-06-28 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-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CG 59/4885DHODH 2700/4885ADORA2A 1319/4885

“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.