SCHEMBL3873552

SCHEMBL3873552

Cc1ccc(N)c(C#C[Si](C)(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.50
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDM4E B2RXH2 4/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
RAB9A P51151 3/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
NCF1 P14598 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL19211801 0.80 GRM5 (0.53) GRM5KMT2AGAANOS3NOS2
SCHEMBL29595780 0.80 GRM5 (0.53) GRM5KMT2AGAANOS3NOS2
SCHEMBL15750954 0.79 IDO1 (0.33) GRM5
SCHEMBL3872323 0.74 GRM5 (0.68) GRM5KMT2ASLC6A2KDM4ELMNA
SCHEMBL21816291 0.74 GRM5 (0.46) GRM5KMT2AGAANOS3NOS2
SCHEMBL3060800 0.74 GRM5 (0.46) GRM5KMT2AGAANOS3NOS2
Hydrochloric Acid SCHEMBL3879152 0.73 GRM5 (0.66) GRM5KMT2ASLC6A2KDM4ELMNA
SCHEMBL20433364 0.72 NOS3 (0.35) GRM5NOS3NOS2KDM4E
SCHEMBL3872237 0.72 GRM5 (0.68) GRM5KMT2ASLC6A2KDM4ELMNA
SCHEMBL1695597 0.71 CYP1A2 (0.49) KMT2AGAAKDM4ELMNAPOLB

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 8 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 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-20060183758-A1 Method for synthesis of AZA-annelated pyrroles, thiophenes, and furans CB RESEARCH AND DEVELOPMENT, INC. (US) 2006-08-17 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 (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-20080004316-A1 Novel aminopyridine derivatives as mGluR5 antagonists GRM5, GRM6, GRM2 GRM5 1/4885KMT2A 1304/4885GAA 4648/4885
US-20060030601-A1 Novel aminopyridine derivatives as mGluR5 antagonists GRM5, GRM6, GRM2 GRM5 1/4885KMT2A 1304/4885GAA 4648/4885
US-20060183758-A1 Method for synthesis of AZA-annelated pyrroles, thiophenes, and furans TPMT, INMT, AANAT GRM5 2181/4885KMT2A 1936/4885GAA 3525/4885

“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.