SCHEMBL2895669

SCHEMBL2895669

Cn1c(OCc2nnn(-c3cccc(I)c3)n2)nnc1-c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM5 P41594 8/20 0.38
KCNH2 Q12809 2/20 0.36
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BCHE P06276 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2895170 0.90 GRM5 (0.45) ALDH1A1MEN1KMT2AGRM5KCNH2
SCHEMBL2889471 0.88 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AGRM5KCNH2
SCHEMBL2889526 0.85 CHRNB2 (0.46) ALDH1A1MEN1KMT2AGRM5KCNH2
SCHEMBL2893046 0.84 GRM5 (0.35) MEN1KMT2AGRM5GAATSHR
SCHEMBL2892844 0.80 GRM5 (0.34) ALDH1A1MEN1KMT2AGRM5MAPT
SCHEMBL2895459 0.80 GRM5 (0.57) ALDH1A1MEN1KMT2AGRM5KCNH2
SCHEMBL5739345 0.79 MEN1 (0.48) ALDH1A1MEN1KMT2AGRM5KCNH2
SCHEMBL5757547 0.78 GRM5 (0.41) GRM5KCNH2
SCHEMBL2897330 0.76 MAPT (0.39) ALDH1A1MEN1KMT2AKCNH2MAPT
SCHEMBL2895287 0.75 GRM5 (0.37) ALDH1A1MEN1KMT2AGRM5GAA

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 17 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 claimed
CN-101845023-A Tetrazole compound and as the application of metabotropic glutamate receptor antagonists NPS PHARMA INC 2010-09-29 CN claimed
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US claimed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US claimed
CN-1918137-A Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-21 CN claimed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP claimed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US claimed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 WO claimed
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 ALDH1A1 2803/4885MEN1 2336/4885KMT2A 2233/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 ALDH1A1 2915/4885MEN1 2406/4885KMT2A 2227/4885

“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.