SCHEMBL2897789

SCHEMBL2897789

C[C@@H]1CN(c2nccnc2C#N)CCN1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
KIT P10721 1/20 0.42
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
PRKCQ Q04759 3/20 0.37
PRKCD Q05655 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
ROCK2 O75116 1/20 0.35
PRKCI P41743 1/20 0.35
GRM5 P41594 1/20 0.35
HDAC1 Q13547 1/20 0.34
ACVR1 Q04771 1/20 0.34
CHEK1 O14757 1/20 0.34
GSK3B P49841 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
SCHEMBL2895112 1.00 MAPT (0.42) MAPTKITMAPK13MAPK12MAPK11
SCHEMBL2899849 0.79 KDM4E (0.50) MAPTPRKCQPRKCDGRM5
SCHEMBL2897776 0.79 KDM4E (0.50) MAPTPRKCQPRKCDGRM5
SCHEMBL3329389 0.79 KDM4E (0.50) MAPTPRKCQPRKCDGRM5
SCHEMBL3453428 0.78 MAPT (0.48) MAPT
SCHEMBL3882295 0.77 MAPK13 (0.46) KITMAPK13MAPK12MAPK11MAPK14
SCHEMBL3882291 0.77 MAPK13 (0.46) KITMAPK13MAPK12MAPK11MAPK14
SCHEMBL3884627 0.77 MAPK13 (0.46) KITMAPK13MAPK12MAPK11MAPK14
SCHEMBL5477185 0.77 GRM5 (0.41) MAPTGRM5GSK3B
SCHEMBL2214963 0.75 HRH4 (0.34) KITMAPK13MAPK12MAPK11MAPK14

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
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
US-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-03-01 US disclosed
US-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-03-01 US disclosed
US-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-03-01 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 (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 MAPT 1115/4885KIT 2333/4885MAPK13 2894/4885
US-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists GRM5, GRM1, GRM3 MAPT 1549/4885KIT 2227/4885MAPK13 3597/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 MAPT 1070/4885KIT 2502/4885MAPK13 2787/4885

“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.