SCHEMBL12412792

SCHEMBL12412792

CN(c1cncnc1)c1cc(NC(=O)c2cccc(Cl)c2)ccc1F

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.73
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNQ3 O43525 2/20 0.50
KCNQ2 O43526 2/20 0.50
KCNE1 P15382 2/20 0.50
KCNQ1 P51787 2/20 0.50
CSF1R P07333 1/20 0.50
KCNQ5 Q9NR82 1/20 0.49
BRAF P15056 1/20 0.48
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 2/20 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
SCHEMBL12412836 0.90 GRM5 (0.61) GRM5MEN1KMT2AKCNQ3KCNQ2
SCHEMBL12412788 0.90 GRM5 (0.71) GRM5MEN1KMT2AKCNQ3KCNQ2
SCHEMBL12412029 0.89 GRM5 (0.60) GRM5MEN1KMT2ACSF1RBRAF
SCHEMBL12412793 0.88 GRM5 (0.72) GRM5KMT2ACSF1R
SCHEMBL12830497 0.88 GRM5 (0.59) GRM5
SCHEMBL12412802 0.86 GRM5 (0.66) GRM5
SCHEMBL12412795 0.86 GRM5 (0.73) GRM5BRAF
SCHEMBL12411993 0.86 GRM5 (0.59) GRM5
SCHEMBL6927318 0.84 GRM5 (1.00) GRM5MEN1KMT2AKCNQ3KCNQ2
SCHEMBL12412776 0.84 GRM5 (0.83) GRM5MEN1KMT2AKCNQ3KCNQ2

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 1/4885MEN1 4564/4885KMT2A 637/4885

“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.