SCHEMBL12412784

SCHEMBL12412784

CN(c1cncnc1)c1cc(F)cc(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.77
KCNQ3 O43525 2/20 0.49
KCNQ2 O43526 2/20 0.49
KCNE1 P15382 2/20 0.49
KCNQ1 P51787 2/20 0.49
KCNQ5 Q9NR82 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 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
SCHEMBL2181090 0.90 GRM5 (0.81) GRM5KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL12412806 0.90 GRM5 (0.61) GRM5KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL12412756 0.90 GRM5 (0.66) GRM5MEN1KMT2A
SCHEMBL12412008 0.88 GRM5 (0.59) GRM5MEN1KMT2A
SCHEMBL12830273 0.87 GRM5 (0.58) GRM5
SCHEMBL6927318 0.87 GRM5 (1.00) GRM5KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL12412776 0.87 GRM5 (0.83) GRM5KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2178929 0.85 GRM5 (0.78) GRM5
SCHEMBL12412011 0.85 GRM5 (0.63) GRM5
SCHEMBL12412792 0.83 GRM5 (0.73) GRM5KCNQ3KCNQ2KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501757-B2 Substituted phenylamine carboxamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2013-08-06 US disclosed
US-8501757-B2 Substituted phenylamine carboxamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2013-08-06 US disclosed
US-20110166158-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-07 US disclosed
US-20110166158-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-07 US disclosed
WO-2011035214-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (US) 2011-03-24 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 (1 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-20110166158-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 GRM5 1/4885KCNQ3 494/4885KCNQ2 417/4885

“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.