SCHEMBL171897

SCHEMBL171897

Cc1cc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
LPL P06858 12/20 0.41
LIPG Q9Y5X9 12/20 0.41
SNCA P37840 1/20 0.40
DGAT1 O75907 1/20 0.38
HIF1A Q16665 1/20 0.37
DYRK1A Q13627 1/20 0.36
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
F11 P03951 1/20 0.35

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
SCHEMBL743300 0.82 LPL (0.38) CA1CA2CA9LPLLIPG
SCHEMBL18123774 0.82 CA1 (0.51) CA1CA2CA9LPLLIPG
SCHEMBL2790639 0.81 GRM2 (0.37) LPLLIPGDYRK1A
SCHEMBL5243207 0.81 CA1 (0.61) CA1CA2CA9LPLLIPG
SCHEMBL16158904 0.79 CA1 (0.47) CA1CA2CA9LPLLIPG
SCHEMBL22658702 0.79 CA1 (0.43) CA1CA2CA9LPLLIPG
SCHEMBL29502732 0.78 UHRF1 (0.42) CA1CA2CA9LPLLIPG
SCHEMBL253320 0.78 UHRF1 (0.42) CA1CA2CA9LPLLIPG
SCHEMBL623833 0.78 CA1 (0.54) CA1CA2CA9LPLLIPG
SCHEMBL18162730 0.78 LIPG (0.56) CA1CA2CA9LPLLIPG

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
EP-2426125-B1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICALS INC (US) 2015-12-02 EP disclosed
US-9067891-B2 1,4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2015-06-30 US disclosed
US-9067891-B2 1,4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2015-06-30 US disclosed
US-9067891-B2 1,4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2015-06-30 US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
EP-2200985-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2010-06-30 EP disclosed
US-20100099715-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMECEUTICALS, INC (US) 2010-04-22 US disclosed
US-20100099715-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMECEUTICALS, INC (US) 2010-04-22 US disclosed
US-20100099715-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMECEUTICALS, INC (US) 2010-04-22 US disclosed
EP-2134690-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2 -RECEPTOR MODULATORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2009033702-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed
WO-2009033702-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed
WO-2008107480-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2 -RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 WO disclosed
WO-2008107480-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2 -RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 WO disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 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-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 CA1 4028/4885CA2 1252/4885CA9 4855/4885
US-20100099715-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR MODULATORS GRM2, GRIK2, GRM1 CA1 2945/4885CA2 589/4885CA9 4758/4885

“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.