SCHEMBL9958800

SCHEMBL9958800

CC(NC(=O)OC(C)(C)C)c1nc2ncccc2c(C(=O)O)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.46
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
CTSK P43235 4/20 0.37
CTSS P25774 2/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
SSTR3 P32745 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.35
SCN9A Q15858 2/20 0.35
CYP3A4 P08684 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
METAP1 P53582 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
SCHEMBL9952525 0.91 DHODH (0.39) DHODHMEN1NPC1GAARAB9A
SCHEMBL9958921 0.91 DHODH (0.40) DHODHMEN1NPC1GAARAB9A
SCHEMBL2719664 0.86 LMNA (0.48) DHODHMEN1NPC1GAARAB9A
SCHEMBL1989302 0.84 KDM4E (0.39) DHODHMEN1NPC1GAARAB9A
SCHEMBL9959948 0.82 PIK3CD (0.41) DHODHMEN1NPC1GAARAB9A
SCHEMBL2717033 0.81 CTSK (0.39) MEN1NPC1GAARAB9AKMT2A
SCHEMBL3784892 0.79 PIK3CD (0.51) DHODHCYP3A4FABP3FABP4FABP5
SCHEMBL2719205 0.79 PIK3CD (0.51) DHODHCYP3A4FABP3FABP4FABP5
SCHEMBL1995280 0.78 CYP3A4 (0.39) MEN1NPC1GAARAB9AKMT2A
SCHEMBL3775458 0.78 MEN1 (0.44) MEN1NPC1GAARAB9AKMT2A

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 6 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
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
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 2700/4885MEN1 1216/4885NPC1 4540/4885

“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.