SCHEMBL2896067

SCHEMBL2896067

COc1cc(-c2nnc3n2CCCN3)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.57
PSEN2 P49810 1/20 0.57
APH1B Q8WW43 1/20 0.57
NCSTN Q92542 1/20 0.57
APH1A Q96BI3 1/20 0.57
PSENEN Q9NZ42 1/20 0.57
CHRNA7 P36544 1/20 0.41
RPS6KA2 Q15349 1/20 0.39
LRRK2 Q5S007 1/20 0.37
DYRK1A Q13627 1/20 0.36
ACVR2A P27037 4/20 0.36
TGFBR2 P37173 4/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CYP19A1 P11511 1/20 0.35
TLR9 Q9NR96 2/20 0.35
TLR7 Q9NYK1 2/20 0.35

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
SCHEMBL2897122 0.96 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5488142 0.82 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2889941 0.80 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2895214 0.78 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1544024 0.75 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4336420 0.74 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12913752 0.73 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2895908 0.71 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5481430 0.71 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30626327 0.69 LOX (0.55) CHRNA7LRRK2DYRK1AACVR2ATGFBR2

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
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-20070259895-A1 MGluR5 modulators VI ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259895-A1 MGluR5 modulators VI ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259895-A1 MGluR5 modulators VI 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
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 (4 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 PSEN1 775/4885PSEN2 876/4885APH1B 3491/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 PSEN1 923/4885PSEN2 606/4885APH1B 2718/4885
US-20070259895-A1 MGluR5 modulators VI GRM5, GRIK5, GRM6 PSEN1 956/4885PSEN2 614/4885APH1B 2548/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 PSEN1 786/4885PSEN2 902/4885APH1B 3540/4885

“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.