SCHEMBL10028699

SCHEMBL10028699

O=C(O)c1cc(-c2cccnc2)cc(-c2cccnc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.77
MKNK1 Q9BUB5 5/20 0.71
MKNK2 Q9HBH9 5/20 0.71
ALDH1A1 P00352 3/20 0.60
APP P05067 1/20 0.60
GAA P10253 1/20 0.60
HCAR3 P49019 1/20 0.60
HCAR2 Q8TDS4 1/20 0.60
CYP2A6 P11509 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP19A1 P11511 1/20 0.53
IP6K1 Q92551 1/20 0.51
IP6K3 Q96PC2 1/20 0.51
IP6K2 Q9UHH9 1/20 0.51
GLO1 Q04760 1/20 0.50
PIM1 P11309 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
DHODH Q02127 2/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL13044190 0.96 KMO (0.73) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL17089048 0.96 KMO (0.77) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL29503876 0.96 KMO (0.77) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL10028681 0.89 KMO (0.73) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL14395132 0.89 KMO (0.67) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL5226019 0.89 KMO (0.67) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL5229566 0.89 KMO (0.67) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL29569537 0.87 KMO (1.00) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL206541 0.87 KMO (1.00) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL1690466 0.87 KMO (0.75) KMOMKNK1MKNK2ALDH1A1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658795-B2 Pyridinium boronic acid quenchers for use in analyte sensors GLUMETRICS, INC. (US) 2014-02-25 US disclosed
US-8658795-B2 Pyridinium boronic acid quenchers for use in analyte sensors GLUMETRICS, INC. (US) 2014-02-25 US disclosed
US-20120208286-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS, INC. (US) 2012-08-16 US disclosed
US-20120208286-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS, INC. (US) 2012-08-16 US disclosed
US-8178676-B2 Pyridinium boronic acid quenchers for use in analyte sensors GLUMETRICS, INC. (US) 2012-05-15 US disclosed
US-8178676-B2 Pyridinium boronic acid quenchers for use in analyte sensors GLUMETRICS, INC. (US) 2012-05-15 US disclosed
US-20110171742-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS, INC. (US) 2011-07-14 US disclosed
US-20110171742-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS, INC. (US) 2011-07-14 US disclosed
US-7939664-B2 Pyridinium boronic acid quenchers for use in analyte sensors GLUMETRICS INC. (US) 2011-05-10 US disclosed
US-7939664-B2 Pyridinium boronic acid quenchers for use in analyte sensors GLUMETRICS INC. (US) 2011-05-10 US disclosed
EP-2147003-B1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS INC (US) 2011-04-20 EP disclosed
US-20080305009-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS INC. (US) 2008-12-11 US disclosed
US-20080305009-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS INC. (US) 2008-12-11 US disclosed
WO-2008137604-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS, INC. (US) 2008-11-13 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 (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-20120208286-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS BLVRB, PDXK, PNPO KMO 339/4885MKNK1 3856/4885MKNK2 3960/4885
US-20080305009-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS BLVRB, PDXK, PNPO KMO 339/4885MKNK1 3856/4885MKNK2 3960/4885
US-20110171742-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS BLVRB, PDXK, PNPO KMO 339/4885MKNK1 3856/4885MKNK2 3960/4885

“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.