SCHEMBL740651

SCHEMBL740651

O=C(CC(F)(F)F)NNc1nccc(-c2ccc(OC3CCOCC3)c(Cl)c2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.46
TBK1 Q9UHD2 9/20 0.41
KMO O15229 5/20 0.40
IKBKE Q14164 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL739077 0.79 GRM2 (0.50) GRM2TBK1KMO
SCHEMBL739257 0.75 GRM2 (0.54) GRM2TBK1KMO
SCHEMBL15672416 0.70 GRM2 (0.49) GRM2TBK1KMOSYK
SCHEMBL740083 0.69 ALDH1A1 (0.34)
SCHEMBL10324063 0.67 GRM2 (0.80) GRM2
SCHEMBL4566187 0.63 GRM2 (0.53) GRM2
SCHEMBL741461 0.61 GRM2 (1.00) GRM2
SCHEMBL14742182 0.61 KMO (0.72) KMO
SCHEMBL10324147 0.61 GRM2 (1.00) GRM2
SCHEMBL1829307 0.59 GRM2 (0.78) GRM2

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-9085577-B2 7-aryl-1,2,4-triazolo[4,3-A]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-9085577-B2 7-aryl-1,2,4-triazolo[4,3-A]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-20140200208-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ADDEX PHARMA, S.A. (CH) 2014-07-17 US disclosed
US-20140200208-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ADDEX PHARMA, S.A. (CH) 2014-07-17 US disclosed
US-8716480-B2 7-aryl-1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2014-05-06 US disclosed
US-8716480-B2 7-aryl-1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2014-05-06 US disclosed
EP-2430021-B1 7-ARYL-1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF mGluR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-08-28 EP disclosed
EP-2430021-B1 7-ARYL-1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF mGluR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-08-28 EP disclosed
US-20120184528-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ADDEX PHARMA S.A. (CH) 2012-07-19 US disclosed
US-20120184528-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ADDEX PHARMA S.A. (CH) 2012-07-19 US disclosed
EP-2430021-A1 7-ARYL-1,2,4-TRIAZOLOÝ4,3-A¨PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals Inc. (US) 2012-03-21 EP disclosed
WO-2010130423-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
WO-2010130423-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 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-20140200208-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRIA2 GRM2 1/4885TBK1 699/4885KMO 491/4885
US-20120184528-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRIA2 GRM2 1/4885TBK1 699/4885KMO 491/4885

“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.