SCHEMBL163628

SCHEMBL163628

[2H]C([2H])(Br)c1ccnc(NC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 13/20 0.49
PKM P14618 1/20 0.44
RIOK2 Q9BVS4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4943008 0.87 NR3C2 (0.51) NR3C2PKMRIOK2MEN1KMT2A
SCHEMBL27827424 0.84 NR3C2 (0.56) NR3C2PKMRAB9ANPC1SMN1; SMN2
SCHEMBL5913167 0.81 NR3C2 (0.53) NR3C2PKMRIOK2MEN1KMT2A
SCHEMBL9934078 0.80 NR3C2 (0.51) NR3C2PKMRIOK2MEN1KMT2A
SCHEMBL27083330 0.80 LOXL2 (0.59) NR3C2PKMLOXL2
SCHEMBL1979971 0.79 NR3C2 (0.57) NR3C2PKMRAB9ANPC1SMN1; SMN2
SCHEMBL2562571 0.79 NR3C2 (0.50) NR3C2PKMRIOK2MEN1KMT2A
SCHEMBL15077836 0.79 IGF1R (0.46) NR3C2
SCHEMBL3503006 0.77 NR3C2 (0.60) NR3C2LOXL2
SCHEMBL1980224 0.77 RIOK2 (0.51) NR3C2PKMRIOK2MEN1KMT2A

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-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 NR3C2 2403/4885PKM 378/4885RIOK2 286/4885

“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.