SCHEMBL2889532

SCHEMBL2889532

N#Cc1cccc(-n2nnc(C(O)C(O)c3ccccc3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.51
CHRNB2 P17787 1/20 0.47
CHRNA5 P30532 1/20 0.47
CHRNA4 P43681 1/20 0.47
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
PLK1 P53350 1/20 0.37

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
SCHEMBL5751720 0.86 GRM5 (0.40) GRM5CHRNB2CHRNA5CHRNA4NOTUM
SCHEMBL2896607 0.82 GRM5 (0.52) GRM5CHRNB2CHRNA5CHRNA4NOTUM
SCHEMBL2893686 0.81 GRM5 (0.42) GRM5ALDH1A1KDM4EMAPTPLK1
SCHEMBL2895684 0.81 PKM (0.43) GRM5ALDH1A1MAPTTSHR
SCHEMBL2892918 0.81 GRM5 (0.34) GRM5ALDH1A1KDM4E
SCHEMBL5750726 0.74 PKM (0.37) GRM5ALDH1A1MAPTTSHR
SCHEMBL11601064 0.73 TSHR (0.48) ALDH1A1MAPTTSHRHTT
SCHEMBL2897508 0.72 NOTUM (0.57) GRM5CHRNB2CHRNA5CHRNA4NOTUM
SCHEMBL2893157 0.71 GRM5 (0.46) GRM5CHRNB2CHRNA5CHRNA4NOTUM
SCHEMBL2895892 0.70 GRM5 (0.53) GRM5CHRNB2CHRNA5CHRNA4NOTUM

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
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
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 (2 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 GRM5 10/4885CHRNB2 384/4885CHRNA5 93/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 GRM5 10/4885CHRNB2 380/4885CHRNA5 93/4885

“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.