SCHEMBL2194089

SCHEMBL2194089

Cc1csc(NC(=O)c2cc(N(C)c3cccnc3)ccn2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.81
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.48
GCK P35557 1/20 0.47
CASP3 P42574 1/20 0.47
KMT2A Q03164 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL6929658 0.89 GRM5 (1.00) GRM5NPC1RAB9AKDM4EGAA
SCHEMBL6918545 0.86 GRM5 (0.60) GRM5NPC1RAB9AMAPTGCK
SCHEMBL6927218 0.85 GRM5 (0.59) GRM5NPC1RAB9AKDM4E
SCHEMBL6918542 0.83 GRM5 (0.61) GRM5NPC1RAB9AKDM4EGAA
SCHEMBL6918338 0.81 GRM5 (0.78) GRM5NPC1RAB9AKDM4EGAA
SCHEMBL1491005 0.78 GRM5 (1.00) GRM5
SCHEMBL1982589 0.77 GRM5 (0.72) GRM5NPC1RAB9AKDM4EMAPT
SCHEMBL2198354 0.76 KDM4E (0.60) GRM5KDM4EGAAMAPT
SCHEMBL1798244 0.74 GRM5 (0.60) GRM5NPC1RAB9AKDM4EGAA
SCHEMBL30761185 0.74 NPC1 (0.62) GRM5NPC1RAB9AKDM4EGAA

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 1/4885NPC1 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.