SCHEMBL2191983

SCHEMBL2191983

Cc1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 1.00
GCK P35557 8/20 0.64
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 1/20 0.60
KDM4E B2RXH2 1/20 0.60
HTT P42858 1/20 0.60
CYP3A4 P08684 2/20 0.59
DRD3 P35462 1/20 0.59
SLC6A3 Q01959 1/20 0.59

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
SCHEMBL1982064 0.91 GRM5 (0.84) GRM5GCKNPC1RAB9ASMN1; SMN2
SCHEMBL6918101 0.88 GRM5 (0.78) GRM5GCKNPC1RAB9ASMN1; SMN2
SCHEMBL6930057 0.84 GRM5 (0.73) GRM5
SCHEMBL1491005 0.84 GRM5 (1.00) GRM5
SCHEMBL6918822 0.81 GCK (0.79) GRM5GCKNPC1RAB9ASMN1; SMN2
SCHEMBL6928089 0.81 GRM5 (0.68) GRM5
SCHEMBL6919215 0.77 GRM5 (0.62) GRM5GCK
SCHEMBL16750717 0.76 GRM5 (0.62) GRM5
SCHEMBL6918768 0.76 GRM5 (0.62) GRM5GCK
SCHEMBL6918595 0.74 GRM5 (1.00) GRM5CYP3A4DRD3SLC6A3

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
EP-2477629-B1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME UNIV VANDERBILT (US) 2016-08-03 EP disclosed
US-20110172248-A1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-14 US disclosed
US-20110172248-A1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-14 US disclosed
WO-2011035186-A1 SUBSTITUTED HETEROARYLAMIDE 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-20110172248-A1 SUBSTITUTED HETEROARYLAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 GRM5 1/4885GCK 1358/4885NPC1 2663/4885

“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.