Sugi Predict

Sugi Predict / Compounds / SCHEMBL2173893

SCHEMBL2173893

SCHEMBL2173893

C#Cc1cn(-c2ccc(F)cc2)c(C)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.56
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ PTGS2 P35354 3/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL4630601 0.76 GRM5 (0.38) GRM5GABRA2GABRB2
SCHEMBL4630708 0.74 GRM5 (0.46) GRM5GABRA2GABRB2NR3C1NR3C2
SCHEMBL4630148 0.72 GRM5 (1.00) GRM5GABRA2GABRB2NR3C1NR3C2
SCHEMBL2173276 0.72 GRM5 (0.82) GRM5NR3C1NR3C2
SCHEMBL2172336 0.70 GRM5 (0.78) GRM5NR3C1
SCHEMBL2171789 0.70 GRM5 (0.43) GRM5GABRA2GABRB2NR3C1NR3C2
SCHEMBL2175491 0.70 PTGS2 (0.43) GRM5GABRA2GABRB2NR3C1NR3C2
SCHEMBL2173658 0.70 GRM5 (0.77) GRM5
SCHEMBL28277768 0.69 GRM5 (0.41) GRM5NR3C1NR3C2PTGS2
SCHEMBL5430788 0.67 MAPT (0.40) PTGS2MEN1KMT2APOLB

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 30 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
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-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
US-7531529-B2 Imidazole derivatives ROCHE PALO ALTO LLC (US) 2009-05-12 — — US disclosed
US-7531529-B2 Imidazole derivatives ROCHE PALO ALTO LLC (US) 2009-05-12 — — US disclosed
EP-1606277-B8 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-15 — — EP disclosed
EP-1636206-B1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-10-31 — — EP disclosed
EP-1636206-B1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-10-31 — — EP disclosed
US-7153874-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-26 — — US disclosed
EP-1636206-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 — — EP disclosed
EP-1606277-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 — — 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
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 — — US disclosed
WO-2004080998-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 — — 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-20040229917-A1 Imidazole derivatives GRIK4, GRIA4, GRIK5 GRM5 10/4885GABRA2 137/4885GABRB2 273/4885
US-20040248888-A1 Imidazole derivatives GRIK5, GRM5, GRIN2B GRM5 2/4885GABRA2 55/4885GABRB2 67/4885
US-20050143375-A1 Imidazole derivatives GRM5, GRIK5, GRM2 GRM5 1/4885GABRA2 139/4885GABRB2 106/4885

“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.