SCHEMBL12416708

SCHEMBL12416708

N#Cc1cccc(C(=O)Nc2ccnc(Oc3cccnc3)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.73
BRAF P15056 1/20 0.56
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL12416720 0.91 GRM5 (0.73) GRM5BRAF
SCHEMBL12416374 0.90 GRM5 (0.73) GRM5
SCHEMBL12412628 0.89 GRM5 (0.86) GRM5BRAFTSHR
SCHEMBL12416795 0.84 GRM5 (1.00) GRM5
SCHEMBL12416302 0.84 GRM5 (0.77) GRM5BRAFTSHR
SCHEMBL6927860 0.84 GRM5 (0.77) GRM5
SCHEMBL6926454 0.84 GRM5 (1.00) GRM5BRAF
SCHEMBL6926960 0.84 GRM5 (0.77) GRM5TSHRMAPK1
SCHEMBL6925095 0.84 GRM5 (1.00) GRM5BRAF
SCHEMBL6927749 0.82 GRM5 (1.00) GRM5

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-8569308-B2 Substituted heteroarylamine carboxamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2013-10-29 US disclosed
US-8569308-B2 Substituted heteroarylamine carboxamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2013-10-29 US disclosed
US-20110172247-A1 SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-14 US disclosed
US-20110172247-A1 SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-14 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-20110172247-A1 SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 GRM5 1/4885BRAF 4035/4885TSHR 857/4885

“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.