SCHEMBL6925149

SCHEMBL6925149

O=C(Nc1cncc(Oc2cncnc2)c1)c1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.74
GRM4 Q14833 2/20 0.54
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL12412165 0.85 GRM5 (0.64) GRM5GRM4
SCHEMBL6924936 0.85 GRM5 (1.00) GRM5
SCHEMBL12416432 0.84 GRM5 (0.77) GRM5
SCHEMBL6925103 0.84 GRM5 (1.00) GRM5
SCHEMBL2193135 0.84 GRM5 (1.00) GRM5
SCHEMBL944037 0.83 BCAT2 (0.62) GRM4NPC1MAPTPKMRAB9A
SCHEMBL2189416 0.83 GRM5 (1.00) GRM5
SCHEMBL6927444 0.82 GRM5 (0.67) GRM5
SCHEMBL6927057 0.82 GRM5 (0.76) GRM5GRM4
SCHEMBL12416415 0.81 CYP1A2 (0.64) 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 1/4885GRM4 8/4885NPC1 2378/4885

“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.