SCHEMBL9959801

SCHEMBL9959801

CNC(=O)c1c(-c2ccccn2)c(C(C)NC(=O)O)nc2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.46
PIK3CA P42336 4/20 0.46
PIK3CB P42338 4/20 0.46
PIK3CG P48736 4/20 0.46
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
DHODH Q02127 2/20 0.41
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
SSTR4 P31391 1/20 0.36
GRM5 P41594 2/20 0.36
TACR3 P29371 1/20 0.36
BRD4 O60885 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
SCHEMBL9958978 0.90 DHODH (0.46) PIK3CDPIK3CAPIK3CBPIK3CGDHODH
SCHEMBL9959948 0.86 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL15306325 0.86 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL1995268 0.83 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL2731713 0.79 BRD4 (0.41) PIK3CDPIK3CGKDM4EKMT2AALDH1A1
SCHEMBL9952525 0.78 DHODH (0.39) PIK3CDPIK3CAPIK3CBPIK3CGGAA
SCHEMBL9958921 0.78 DHODH (0.40) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL9959392 0.77 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL10079336 0.77 DHODH (0.46) PIK3CDPIK3CAPIK3CBPIK3CGDHODH
SCHEMBL10080152 0.75 DHODH (0.48) KDM4EDHODHKMT2AADORA3

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 PIK3CD 25/4885PIK3CA 23/4885PIK3CB 43/4885

“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.