SCHEMBL12412666

SCHEMBL12412666

CN(c1cccnc1)c1cccc(NC(=O)c2cccc(C#N)c2)c1

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.86
BRAF P15056 2/20 0.64
CSF1R P07333 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL12416823 0.93 GRM5 (1.00) GRM5BRAFCSF1RCYP11B1CYP11B2
SCHEMBL12412778 0.90 GRM5 (0.84) GRM5BRAF
SCHEMBL12411962 0.89 GRM5 (0.70) GRM5BRAFCSF1RALDH1A1
SCHEMBL12412757 0.89 GRM5 (0.79) GRM5BRAFCSF1RCYP11B1CYP11B2
SCHEMBL12412768 0.87 GRM5 (0.72) GRM5BRAF
SCHEMBL12412771 0.87 GRM5 (0.72) GRM5BRAFCSF1R
SCHEMBL12412764 0.87 GRM5 (0.71) GRM5BRAFCSF1RCYP11B1CYP11B2
SCHEMBL12411966 0.84 GRM5 (0.66) GRM5BRAFCSF1R
SCHEMBL12412773 0.84 GRM5 (0.68) GRM5BRAF
SCHEMBL15847396 0.84 BRAF (0.77) GRM5BRAFCYP11B1CYP11B2ALDH1A1

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 4 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

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 1/4885BRAF 3421/4885CSF1R 3510/4885

“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.