SCHEMBL1107562

SCHEMBL1107562

O=[N+]([O-])c1ccn(CBr)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.51
LMNA P02545 2/20 0.49
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.45
GAA P10253 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
CYP2D6 P10635 1/20 0.44
F2 P00734 2/20 0.42
PLAU P00749 2/20 0.42
KLKB1 P03952 2/20 0.42
ELANE P08246 2/20 0.42
MEN1 O00255 1/20 0.40

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
SCHEMBL1862274 0.81 KMT2A (0.51) PKMLMNAKMT2APOLBGAA
SCHEMBL1107514 0.81 PKM (0.55) PKMLMNAKMT2APOLBGAA
SCHEMBL16013353 0.81 PKM (0.51) PKMLMNAKMT2APOLBGAA
SCHEMBL28282664 0.79 PKM (0.50) PKMLMNAKMT2APOLBGAA
SCHEMBL16943108 0.78 POLB (0.49) PKMLMNAKMT2APOLBGAA
SCHEMBL13011203 0.78 POLB (0.49) PKMLMNAKMT2APOLBGAA
SCHEMBL29953697 0.78 PKM (0.49) PKMLMNAKMT2APOLBGAA
SCHEMBL1393119 0.78 POLB (0.49) PKMLMNAKMT2APOLBGAA
SCHEMBL1861414 0.78 ALDH1A1 (0.49) PKMLMNAKMT2APOLBGAA
SCHEMBL2661411 0.78 PKM (0.52) PKMLMNAKMT2APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558461-B1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL MYERS SQUIBB CO (US) 2015-12-02 EP disclosed
EP-2059522-B1 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
US-20130029939-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
US-20130029939-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US 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 (3 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-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK PKM 222/4885LMNA 4827/4885KMT2A 2216/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 PKM 154/4885LMNA 4815/4885KMT2A 2260/4885
US-20130029939-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, HK1 PKM 238/4885LMNA 4216/4885KMT2A 2652/4885

“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.