SCHEMBL12499337

SCHEMBL12499337

Cc1cc(Oc2cncnc2)cc(C(=O)Nc2ccc(F)cn2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 1.00
GRM5 P41594 7/20 1.00
CYP2C9 P11712 6/20 1.00
KCNH2 Q12809 1/20 1.00
CYP3A4 P08684 5/20 0.82
SLC6A3 Q01959 1/20 0.82

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
SCHEMBL30079820 1.00 CYP1A2 (1.00) CYP1A2GRM5CYP2C9KCNH2CYP3A4
SCHEMBL29970882 1.00 CYP1A2 (1.00) CYP1A2GRM5CYP2C9KCNH2CYP3A4
SCHEMBL12498342 0.90 CYP1A2 (1.00) CYP1A2GRM5CYP2C9KCNH2CYP3A4
SCHEMBL15890655 0.90 GRM5 (0.82) CYP1A2GRM5CYP2C9KCNH2CYP3A4
SCHEMBL15890689 0.89 CYP3A4 (1.00) CYP1A2GRM5CYP2C9KCNH2CYP3A4
SCHEMBL15890681 0.89 CYP1A2 (0.79) CYP1A2GRM5CYP2C9KCNH2CYP3A4
SCHEMBL15890739 0.88 CYP1A2 (1.00) CYP1A2GRM5CYP2C9KCNH2CYP3A4
SCHEMBL15890680 0.87 GRM5 (0.77) CYP1A2GRM5CYP2C9KCNH2CYP3A4
SCHEMBL15890702 0.86 CYP1A2 (0.76) CYP1A2GRM5CYP2C9KCNH2CYP3A4
SCHEMBL15890732 0.86 CYP1A2 (1.00) CYP1A2GRM5CYP2C9KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260098030-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 UNIV VANDERBILT (US) 2026-04-09 US disclosed
US-20240208983-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 VANDERBILT UNIVERSITY 2024-06-27 US disclosed
US-20240199640-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 VANDERBILT UNIVERSITY 2024-06-20 US disclosed
US-20240199641-A1 QUINAZOLINE-4(3H)-ONE DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 UNIV VANDERBILT (US) 2024-06-20 US disclosed
WO-2023279193-A9 PHOSPHODIESTERASE INHIBITORS FOR THE MITIGATION OF FRAGILE X SYNDROME SYMPTOMS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2023-04-27 WO disclosed
US-10538491-B2 4,5-substituted picolinamide and picolinonitrile metabotropic glutamate receptor 2 negative allosteric modulators VANDERBILT UNIVERSITY (US) 2020-01-21 US disclosed
US-10399948-B2 Negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2019-09-03 US disclosed
US-20180072674-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 VANDERBILT UNIVERSITY (US) 2018-03-15 US disclosed
US-20180022712-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2018-01-25 US disclosed
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
WO-2016130652-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY (US) 2016-08-18 WO disclosed
US-20160214940-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 VANDERBILT UNIVERSITY 2016-07-28 US disclosed
US-9382208-B1 Negative allosteric modulators of metabotropic glutamate receptor 2 VANDERBILT UNIVERSITY (US) 2016-07-05 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 US disclosed
US-9085562-B2 6-alkyl-N-(pyridin-2-yl)-4-aryloxypicolinamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2015-07-21 US disclosed
US-9085562-B2 6-alkyl-N-(pyridin-2-yl)-4-aryloxypicolinamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2015-07-21 US disclosed
US-20140206707-A1 6-ALKYL-N-(PYRIDIN-2-YL)-4-ARYLOXYPICOLINAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (US) 2014-07-24 US disclosed
US-20140206707-A1 6-ALKYL-N-(PYRIDIN-2-YL)-4-ARYLOXYPICOLINAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (US) 2014-07-24 US disclosed
EP-2680849-A2 6-ALKYL-N-(PYRIDIN-2-YL)-4-ARYLOXYPICOLINAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME Vanderbilt University (US) 2014-01-08 EP disclosed
WO-2012118563-A2 6-ALKYL-N-(PYRIDIN-2-YL)-4-ARYLOXYPICOLINAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (US) 2012-09-07 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 (11 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-10538491-B2 4,5-substituted picolinamide and picolinonitrile metabotropic glutamate receptor 2 negative allosteric modulators GRM2, GRIA2, GRIN2A CYP1A2 1014/4885GRM5 5/4885CYP2C9 1489/4885
US-20140206707-A1 6-ALKYL-N-(PYRIDIN-2-YL)-4-ARYLOXYPICOLINAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 CYP1A2 3163/4885GRM5 1/4885CYP2C9 3619/4885
US-20240199640-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM2, GRIN2A, GRIN2C CYP1A2 2576/4885GRM5 11/4885CYP2C9 3574/4885
US-20240199641-A1 QUINAZOLINE-4(3H)-ONE DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM2, GRIN2A, GRIN2C CYP1A2 1890/4885GRM5 12/4885CYP2C9 2948/4885
US-20260098030-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM2, GRM1, GRIN2C CYP1A2 2194/4885GRM5 21/4885CYP2C9 3229/4885
US-20180022712-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 GRM3, GRM1, GRIN3A CYP1A2 4630/4885GRM5 8/4885CYP2C9 4369/4885
US-10399948-B2 Negative allosteric modulators of metabotropic glutamate receptor 3 GRM3, GRM1, GRIN3A CYP1A2 4630/4885GRM5 8/4885CYP2C9 4369/4885
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 GRM3, GRM1, GRIN3A CYP1A2 4630/4885GRM5 8/4885CYP2C9 4369/4885
US-20240208983-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM2, GRM1, GRM3 CYP1A2 1995/4885GRM5 11/4885CYP2C9 2782/4885
US-20160214940-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM2, GRM1, GRIN2A CYP1A2 3561/4885GRM5 6/4885CYP2C9 4042/4885
US-20180072674-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM2, GRM1, GRIN2A CYP1A2 3561/4885GRM5 6/4885CYP2C9 4042/4885

“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.