SCHEMBL2235367

SCHEMBL2235367

COc1cc(Nc2noc3cccnc23)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 10/20 0.61
EPHX2 P34913 1/20 0.53
HDAC6 Q9UBN7 1/20 0.46
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
SGMS1 Q86VZ5 2/20 0.42
SGMS2 Q8NHU3 2/20 0.42
CLK1 P49759 1/20 0.40
BRD4 O60885 1/20 0.40
TNF P01375 1/20 0.40

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
SCHEMBL2237129 0.91 GRM4 (0.61) GRM4EPHX2
SCHEMBL2234942 0.89 EPHX2 (0.56) GRM4EPHX2CLK1
SCHEMBL14805002 0.87 EPHX2 (0.54) GRM4EPHX2SGMS1SGMS2CLK1
SCHEMBL6922725 0.86 GRM4 (0.61) GRM4EPHX2SGMS1SGMS2CLK1
SCHEMBL6923970 0.85 GRM4 (0.60) GRM4EPHX2IDO1TDO2
SCHEMBL2234997 0.85 EPHX2 (0.60) GRM4EPHX2
SCHEMBL14804992 0.81 GRM4 (0.59) GRM4EPHX2
SCHEMBL2236658 0.79 EPHX2 (0.60) GRM4EPHX2KDR
SCHEMBL6922687 0.79 EPHX2 (0.56) GRM4EPHX2
SCHEMBL6923762 0.79 EPHX2 (0.66) GRM4EPHX2PDGFRBKITFLT1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916584-B2 Benzisoxazoles and azabenzisoxazoles as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-12-23 US disclosed
US-8916584-B2 Benzisoxazoles and azabenzisoxazoles as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-12-23 US disclosed
US-8916584-B2 Benzisoxazoles and azabenzisoxazoles as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-12-23 US disclosed
US-20130079366-A1 Benzisoxazoles and Azabenzisoxazoles as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-03-28 US disclosed
US-20130079366-A1 Benzisoxazoles and Azabenzisoxazoles as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-03-28 US disclosed
US-20130079366-A1 Benzisoxazoles and Azabenzisoxazoles as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-03-28 US disclosed
EP-2533642-A1 BENZISOXAZOLES AND AZABENZISOXAZOLES AS mgluR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION Vanderbilt University (US) 2012-12-19 EP disclosed
WO-2011100614-A1 BENZISOXAZOLES AND AZABENZISOXAZOLES AS mgluR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-08-18 WO disclosed
WO-2011100614-A1 BENZISOXAZOLES AND AZABENZISOXAZOLES AS mgluR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-08-18 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-20130079366-A1 Benzisoxazoles and Azabenzisoxazoles as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRIK4, GRM4, GRIA4 GRM4 2/4885EPHX2 2498/4885HDAC6 1270/4885

“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.