SCHEMBL6929658

SCHEMBL6929658

Cc1csc(NC(=O)c2cc(N(C)c3cncnc3)ccn2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 1.00
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 2/20 0.50
CYP3A4 P08684 1/20 0.48

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
SCHEMBL2194089 0.89 GRM5 (0.81) GRM5NPC1RAB9AKDM4EGAA
SCHEMBL1982589 0.83 GRM5 (0.72) GRM5NPC1RAB9AKDM4EMAPT
SCHEMBL6928562 0.80 GRM5 (1.00) GRM5MAPT
SCHEMBL6918727 0.80 GRM5 (0.77) GRM5NPC1RAB9AKDM4EMAPT
SCHEMBL6927216 0.79 GRM5 (1.00) GRM5CYP3A4
SCHEMBL1979922 0.77 GRM5 (1.00) GRM5NPC1RAB9AKDM4EMAPT
SCHEMBL6928965 0.76 GRM5 (0.74) GRM5NPC1RAB9A
SCHEMBL6928710 0.76 GRM5 (0.80) GRM5CYP3A4
SCHEMBL6918571 0.76 GRM5 (0.68) GRM5NPC1RAB9AKDM4EMAPT
SCHEMBL6918545 0.75 GRM5 (0.60) GRM5NPC1RAB9AMAPT

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 3 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
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 1/4885NPC1 2663/4885RAB9A 1677/4885

“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.