SCHEMBL3877006

SCHEMBL3877006

Cc1ccc(N)c(C#Cc2cccnc2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.59
CYP2D6 P10635 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2A6 P11509 5/20 0.46
CYP2C9 P11712 3/20 0.45
CYP2B6 P20813 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2E1 P05181 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C8 P10632 1/20 0.44
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43

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
Hydrochloric Acid SCHEMBL3877906 0.98 GRM5 (0.58) GRM5CYP2D6CYP1A2CYP2A6CYP2C9
SCHEMBL3872323 0.82 GRM5 (0.68) GRM5CYP2D6CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3879152 0.81 GRM5 (0.66) GRM5CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3874036 0.77 GRM5 (0.53) GRM5
SCHEMBL3872704 0.77 GRM5 (0.68) GRM5PIK3CA
Hydrochloric Acid SCHEMBL3874011 0.75 GRM5 (0.67) GRM5PIK3CA
Hydrochloric Acid SCHEMBL3875451 0.75 GRM5 (0.52) GRM5
SCHEMBL15617603 0.75 CYP2A6 (0.51) GRM5CYP2D6CYP1A2CYP2A6CYP2C9
SCHEMBL3881087 0.75 GRM5 (0.70) GRM5
SCHEMBL3877004 0.75 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 1/4885CYP2D6 1276/4885CYP1A2 3458/4885
US-20060030601-A1 Novel aminopyridine derivatives as mGluR5 antagonists GRM5, GRM6, GRM2 GRM5 1/4885CYP2D6 1276/4885CYP1A2 3458/4885

“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.