SCHEMBL981316

SCHEMBL981316

Cc1nc(C#Cc2ccnc(Cl)c2)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.44
KCNH2 Q12809 2/20 0.44
FFAR1 O14842 1/20 0.41
ADRB3 P13945 1/20 0.40
TSPO P30536 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GPR35 Q9HC97 1/20 0.40
TRPA1 O75762 1/20 0.35

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
SCHEMBL2010490 0.86 GRM5 (0.49) GRM5FFAR1
SCHEMBL2175371 0.82 GRM5 (0.41) GRM5
SCHEMBL980685 0.79 GRM5 (0.61) GRM5KCNH2
SCHEMBL5919617 0.76 GRM5 (0.66) GRM5
SCHEMBL980961 0.75 GRM5 (0.55) GRM5
SCHEMBL4021134 0.74 GRM5 (0.57) GRM5KCNH2
SCHEMBL5045983 0.74 GRM5 (0.49) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL1024735 0.73 GRM5 (0.57) GRM5
SCHEMBL8297077 0.71 IDO1 (0.50) TRPA1
SCHEMBL9947880 0.71 FFAR1 (0.46) GRM5KCNH2FFAR1ADRB3TSPO

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 39 patents — showing the first 20. 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-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-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
EP-2456765-B1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-05-01 EP disclosed
US-8334287-B2 Imidazoles HOFFMANN-LA ROCHE INC. (US) 2012-12-18 US disclosed
EP-2456765-A1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP disclosed
US-7973165-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-05 US disclosed
US-7973165-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-05 US disclosed
US-7964620-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964620-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7091222-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-15 US disclosed
EP-1644351-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP 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-2005023795-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
US-20050054686-A1 Imidazole derivatives HOFFMANN-LA ROCHE INC. 2005-03-10 US disclosed
WO-2005003117-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed
US-20050009878-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-01-13 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-20050054686-A1 Imidazole derivatives CHRM2, CHRM1, ARG1 GRM5 758/4885KCNH2 418/4885FFAR1 3485/4885
US-20040248888-A1 Imidazole derivatives GRIK5, GRM5, GRIN2B GRM5 2/4885KCNH2 115/4885FFAR1 440/4885
US-20050009878-A1 Imidazole derivatives GRIK5, GRM5, GRIK4 GRM5 2/4885KCNH2 78/4885FFAR1 600/4885
US-20050143375-A1 Imidazole derivatives GRM5, GRIK5, GRM2 GRM5 1/4885KCNH2 1004/4885FFAR1 581/4885

“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.