SCHEMBL6926979

SCHEMBL6926979

O=C(Nc1cncc(Oc2cncnc2)c1)c1cccc(F)c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.74
KCNQ3 O43525 2/20 0.56
KCNQ2 O43526 2/20 0.56
KCNQ5 Q9NR82 1/20 0.56
KCNE1 P15382 1/20 0.54
KCNQ1 P51787 1/20 0.54

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
SCHEMBL12412722 0.89 GRM5 (0.60) GRM5KCNQ3KCNQ2KCNQ5
SCHEMBL12830292 0.86 GRM5 (0.56) GRM5KCNQ3KCNQ2KCNQ5KCNE1
SCHEMBL6926476 0.85 GRM5 (0.74) GRM5
SCHEMBL6925961 0.85 GRM5 (1.00) GRM5
SCHEMBL12416401 0.85 GRM5 (0.74) GRM5
SCHEMBL6925147 0.85 GRM5 (1.00) GRM5KCNQ3KCNQ2KCNQ5KCNE1
SCHEMBL2180028 0.83 GRM5 (0.67) GRM5KCNQ3KCNQ2KCNQ5
SCHEMBL12412931 0.83 GRM5 (0.53) GRM5KCNQ3KCNQ2KCNQ5KCNE1
SCHEMBL12416410 0.82 GRM5 (0.80) GRM5
SCHEMBL12416743 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 5 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
WO-2011035174-A1 SUBSTITUTED HETEROARYLAMINE 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-20110172247-A1 SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 GRM5 1/4885KCNQ3 558/4885KCNQ2 444/4885

“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.