SCHEMBL6317211

SCHEMBL6317211

CN(C(=O)OC(C)(C)C)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
PAX8 Q06710 1/20 0.41
BRD4 O60885 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
PKM P14618 2/20 0.36
NCEH1 Q6PIU2 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SSTR4 P31391 1/20 0.35
RIPK1 Q13546 1/20 0.35
AKT1 P31749 1/20 0.35
MMP13 P45452 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL21084775 0.88 PAX8 (0.46) MEN1KMT2ARAB9APAX8BRD4
SCHEMBL12117478 0.81 LIPE (0.43) PAX8BRD4ALDH1A1TP53MAPT
SCHEMBL15221617 0.81 TSHR (0.43) MEN1KMT2ARAB9AHTTNPC1
SCHEMBL27594895 0.81 MEN1 (0.40) MEN1KMT2ARAB9AHTTNPC1
SCHEMBL13311040 0.80 PAX8 (0.41) MEN1KMT2ARAB9APAX8BRD4
SCHEMBL29837226 0.80 PAX8 (0.41) MEN1KMT2ARAB9APAX8BRD4
SCHEMBL30568129 0.80 PAX8 (0.41) MEN1KMT2ARAB9APAX8BRD4
SCHEMBL1847986 0.80 MEN1 (0.39) MEN1KMT2ARAB9AHTTNPC1
SCHEMBL16389414 0.80 GSK3B (0.41) MEN1KMT2ARAB9AHTTNPC1
SCHEMBL29004738 0.79 GBA1 (0.45) MEN1KMT2ARAB9AHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6909001-B2 Method of making tricyclic aminocyanopyridine compounds PHARMACIA CORPORATION (US) 2005-06-21 US disclosed
US-20040127714-A1 Method of making tricyclic aminocyanopyridine compounds PHARMACIA CORPORATION 2004-07-01 US disclosed
US-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION 2004-07-01 US disclosed
EP-1086076-A1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 2001-03-28 EP disclosed
WO-1999065870-A2 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-23 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 (2 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-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP2K2, MAP3K2 MEN1 2597/4885KMT2A 658/4885RAB9A 1999/4885
US-20040127714-A1 Method of making tricyclic aminocyanopyridine compounds MAP4K2, PACSIN2, MAPKAPK2 MEN1 2947/4885KMT2A 1232/4885RAB9A 3490/4885

“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.