SCHEMBL2173659

SCHEMBL2173659

Cc1nc(C#C[Si](C)(C)C)cn1-c1ccc(C2CC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.37
NOTUM Q6P988 1/20 0.31
KDM1A O60341 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL6021622 0.93 GRM5 (0.34) GRM5
SCHEMBL4631174 0.80 GRM5 (0.64) GRM5PIK3CAMTOR
SCHEMBL2173112 0.80 GRM5 (0.40) GRM5
SCHEMBL2174683 0.78 GRM5 (0.51) GRM5MTOR
SCHEMBL2172122 0.65 GRM5 (0.39) GRM5MTOR
SCHEMBL31014714 0.64
SCHEMBL23481305 0.64 DGAT1 (0.34) GRM5
SCHEMBL2160384 0.63
SCHEMBL4630619 0.62 GRM5 (0.74) GRM5
SCHEMBL4630768 0.60 GRM5 (0.60) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481548-B2 2-[4-(2-chloro-pyridin-4-ylethynyl)-2-methyl-imidazol-1-yl]-4-trifluoromethyl-pyrimidine; metabotropic glutamate (mGluR5) receptor antagonist; analgesic, neurodegenerative diseases; psychosis, epilepsy, schizophrenia, Alzheimer' disease, cognititve disorders, memory deficits, chronic and acute pain HOFFMAN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-7973165-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-05 US disclosed
US-7531529-B2 Imidazole derivatives ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
CN-100408572-C imidazole derivatives as glutamate receptor antagonists HOFFMANN LA ROCHE (CH) 2008-08-06 CN disclosed
US-20080119489-A1 IMIDAZOLE DERIVATIVES BUETTELMANN BERND 2008-05-22 US disclosed
US-20080103306-A1 IMIDAZOLE DERIVATIVES BUETTELMANN BERND 2008-05-01 US disclosed
US-7332510-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-02-19 US disclosed
EP-1636206-B1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-10-31 EP disclosed
CN-1802367-A Imidazole derivatives as glutmate receptor antagonists HOFFMANN LA ROCHE (CH) 2006-07-12 CN disclosed
EP-1636206-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
US-20050143375-A1 Imidazole derivatives ROCHE PALO ALTO LLC 2005-06-30 US disclosed
WO-2004108701-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-12-16 WO disclosed
US-20040248888-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 US 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-20080119489-A1 IMIDAZOLE DERIVATIVES GRIK5, GRM5, GRIN2B GRM5 2/4885NOTUM 1655/4885KDM1A 1826/4885
US-20080103306-A1 IMIDAZOLE DERIVATIVES GRIK5, GRM5, GRIN2B GRM5 2/4885NOTUM 1804/4885KDM1A 1711/4885
US-20040248888-A1 Imidazole derivatives GRIK5, GRM5, GRIN2B GRM5 2/4885NOTUM 1676/4885KDM1A 1465/4885
US-20050143375-A1 Imidazole derivatives GRM5, GRIK5, GRM2 GRM5 1/4885NOTUM 3088/4885KDM1A 2548/4885

“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.