SCHEMBL3874867

SCHEMBL3874867

COc1cccc(C#Cc2nc(C)ccc2N)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.67
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
ABL1 P00519 1/20 0.46
SLC6A2 P23975 1/20 0.45

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
SCHEMBL3877004 0.80 GRM5 (1.00) GRM5CA12CA1CA2CA9
SCHEMBL3881087 0.80 GRM5 (0.70) GRM5ABL1SLC6A2
SCHEMBL3871676 0.80 GRM5 (0.70) GRM5SLC6A2
Hydrochloric Acid SCHEMBL4654166 0.79 GRM5 (0.97) GRM5CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL3876458 0.79 GRM5 (0.68) GRM5SLC6A2
Hydrochloric Acid SCHEMBL3881392 0.79 GRM5 (0.68) GRM5ABL1SLC6A2
SCHEMBL3872323 0.79 GRM5 (0.68) GRM5SLC6A2
Hydrochloric Acid SCHEMBL3879152 0.77 GRM5 (0.66) GRM5SLC6A2
M-Mpep SCHEMBL29393403 0.77 GRM5 (1.00) GRM5
M-Mpep SCHEMBL1020513 0.77 GRM5 (1.00) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2028180-A1 Novel aminopyridine derivatives as mGluR5 antagonists ADDEX Pharma S.A. (CH) 2009-02-25 EP claimed
EP-1603877-B1 NOVEL AMINOPYRIDINE DERIVATIVES AS mGIuR5 ANTAGONISTS ADDEX PHARMA SA (CH) 2008-11-26 EP claimed
US-20080004316-A1 Novel aminopyridine derivatives as mGluR5 antagonists ADDEX PHARMACEUTICALS SA (CH) 2008-01-03 US claimed
US-7205411-B2 Aminopyridine derivatives as mGluR5 antagonists ADDEX PHARMACEUTICALS SA (CH) 2007-04-17 US claimed
US-20060030601-A1 Novel aminopyridine derivatives as mGluR5 antagonists ADDEX PHARMACEUTICALS SA (CH) 2006-02-09 US claimed
EP-1603877-A1 NOVEL AMINOPYRIDINE DERIVATIVES AS mGIuR5 ANTAGONISTS Addex Pharmaceuticals SA (CH) 2005-12-14 EP claimed
WO-2004078728-A1 NOVEL AMINOPYRIDINE DERIVATIVES AS mGIuR5 ANTAGONISTS ADDEX PHARMACEUTICALS SA (CH) 2004-09-16 WO claimed
EP-2028180-A1 Novel aminopyridine derivatives as mGluR5 antagonists ADDEX Pharma S.A. (CH) 2009-02-25 EP disclosed
EP-1603877-B1 NOVEL AMINOPYRIDINE DERIVATIVES AS mGIuR5 ANTAGONISTS ADDEX PHARMA SA (CH) 2008-11-26 EP disclosed
US-20080004316-A1 Novel aminopyridine derivatives as mGluR5 antagonists ADDEX PHARMACEUTICALS SA (CH) 2008-01-03 US disclosed
US-7205411-B2 Aminopyridine derivatives as mGluR5 antagonists ADDEX PHARMACEUTICALS SA (CH) 2007-04-17 US disclosed
US-20060030601-A1 Novel aminopyridine derivatives as mGluR5 antagonists ADDEX PHARMACEUTICALS SA (CH) 2006-02-09 US disclosed
EP-1603877-A1 NOVEL AMINOPYRIDINE DERIVATIVES AS mGIuR5 ANTAGONISTS Addex Pharmaceuticals SA (CH) 2005-12-14 EP disclosed
WO-2004078728-A1 NOVEL AMINOPYRIDINE DERIVATIVES AS mGIuR5 ANTAGONISTS ADDEX PHARMACEUTICALS SA (CH) 2004-09-16 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-20080004316-A1 Novel aminopyridine derivatives as mGluR5 antagonists GRM5, GRM6, GRM2 GRM5 1/4885CA12 4868/4885CA1 4379/4885
US-20060030601-A1 Novel aminopyridine derivatives as mGluR5 antagonists GRM5, GRM6, GRM2 GRM5 1/4885CA12 4868/4885CA1 4379/4885

“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.