SCHEMBL2897508

SCHEMBL2897508

N#Cc1cccc(-n2nnc(CO)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.57
GRM5 P41594 5/20 0.55
CHRNB2 P17787 1/20 0.54
CHRNA5 P30532 1/20 0.54
CHRNA4 P43681 1/20 0.54
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HPGD P15428 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
SCHEMBL5739553 0.90 NOTUM (0.53) NOTUMGRM5CHRNB2CHRNA5CHRNA4
SCHEMBL2893419 0.79 GRM5 (0.46) NOTUMGRM5CHRNB2CHRNA5CHRNA4
SCHEMBL2889329 0.77 GRM5 (0.45) NOTUMGRM5ALDH1A1MAPTHPGD
SCHEMBL2895891 0.77 NOTUM (0.54) NOTUMGRM5ALDH1A1MAPTHTT
SCHEMBL2896574 0.77 HPGD (0.43) NOTUMGRM5ALDH1A1HPGD
SCHEMBL5739576 0.77 GRM5 (0.45) NOTUMGRM5CHRNB2CHRNA5CHRNA4
SCHEMBL2896607 0.76 GRM5 (0.52) NOTUMGRM5CHRNB2CHRNA5CHRNA4
SCHEMBL512253 0.76 HPGD (0.63) NOTUMALDH1A1KDM4EMAPTTSHR
SCHEMBL2895921 0.75 GRM5 (0.54) NOTUMGRM5CHRNB2CHRNA5CHRNA4
SCHEMBL20575138 0.74 S1PR1 (0.40) NOTUMALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716125-B1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
CN-1918137-B Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2012-08-01 CN disclosed
CN-101845023-A Tetrazole compound and as the application of metabotropic glutamate receptor antagonists NPS PHARMA INC 2010-09-29 CN disclosed
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US disclosed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US disclosed
CN-1918137-A Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 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 (3 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-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 NOTUM 3928/4885GRM5 10/4885CHRNB2 384/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 NOTUM 2476/4885GRM5 1/4885CHRNB2 254/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 NOTUM 4121/4885GRM5 10/4885CHRNB2 380/4885

“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.