SCHEMBL10028690

SCHEMBL10028690

CCOC(=O)c1cncc(-c2cncc(-c3cccnc3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MMP2 P08253 1/20 0.55
MMP13 P45452 1/20 0.55
MMP14 P50281 1/20 0.55
MKNK1 Q9BUB5 2/20 0.52
MKNK2 Q9HBH9 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
DCTPP1 Q9H773 1/20 0.49
CDC7 O00311 1/20 0.49
DBF4 Q9UBU7 1/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 2/20 0.49
KMO O15229 1/20 0.49
NPSR1 Q6W5P4 2/20 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
SCHEMBL1895643 0.99 CYP2C9 (0.57) ALDH1A1MAPTCYP2C9CYP2C19MMP2
SCHEMBL5372083 0.87 CYP2C9 (0.65) ALDH1A1MAPTCYP2C9CYP2C19MKNK1
SCHEMBL10028685 0.84 ALDH1A1 (0.66) ALDH1A1MKNK1MKNK2LMNAKMO
SCHEMBL5735824 0.84 MKNK1 (0.59) ALDH1A1MAPTCYP2C9CYP2C19MMP2
SCHEMBL4746475 0.84 ALDH1A1 (0.57) ALDH1A1MAPTCYP2C9CYP2C19MMP2
SCHEMBL31705350 0.82 ALDH1A1 (0.68) ALDH1A1MKNK1MKNK2LMNAKMO
SCHEMBL31704881 0.82 ALDH1A1 (0.68) ALDH1A1MKNK1MKNK2LMNAKMO
SCHEMBL29771391 0.82 ALDH1A1 (0.68) ALDH1A1MKNK1MKNK2LMNAKMO
SCHEMBL3714867 0.82 ALDH1A1 (0.68) ALDH1A1MKNK1MKNK2LMNAKMO
SCHEMBL31418275 0.82 CYP2C9 (0.55) ALDH1A1MAPTCYP2C9CYP2C19NPC1

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 13 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
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 ALDH1A1 2649/4885MAPT 4435/4885CYP2C9 2993/4885
US-20080305009-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS BLVRB, PDXK, PNPO ALDH1A1 2649/4885MAPT 4435/4885CYP2C9 2993/4885
US-20110171742-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS BLVRB, PDXK, PNPO ALDH1A1 2649/4885MAPT 4435/4885CYP2C9 2993/4885

“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.