SCHEMBL9958978

SCHEMBL9958978

CNC(=O)c1c(-c2ccccc2)c(C(C)NC(=O)O)nc2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.46
PIK3CD O00329 3/20 0.43
PIK3CA P42336 3/20 0.43
PIK3CB P42338 3/20 0.43
PIK3CG P48736 3/20 0.43
CYP3A4 P08684 3/20 0.43
TACR3 P29371 3/20 0.38
SSTR4 P31391 1/20 0.36
PTGFR P43088 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
ADORA2A P29274 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE4A P27815 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL9959801 0.90 PIK3CD (0.46) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9952525 0.87 DHODH (0.39) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10079336 0.87 DHODH (0.46) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1989715 0.83 PIK3CD (0.43) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9959749 0.79 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL9958800 0.77 DHODH (0.46) DHODHCYP3A4ALDH1A1
SCHEMBL9959948 0.77 PIK3CD (0.41) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15306325 0.76 PIK3CD (0.43) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1995268 0.73 PIK3CD (0.46) DHODHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3775458 0.72 MEN1 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4

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
EP-2655342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-10-30 EP 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 DHODH 2700/4885PIK3CD 25/4885PIK3CA 23/4885

“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.