SCHEMBL2172650

SCHEMBL2172650

Cc1nc(I)cn1-c1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CYP11B2 P19099 1/20 0.37
CHRNB4 P30926 4/20 0.37
CHRNA3 P32297 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNB2 P17787 5/20 0.36
CHRNA4 P43681 5/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL2174697 0.80 POLB (0.39) POLBCYP11B2CHRNB4CHRNA3CHRNB2
SCHEMBL2173112 0.74 GRM5 (0.40) POLBCYP11B2CHRNB4CHRNA3MEN1
SCHEMBL4630708 0.73 GRM5 (0.46) POLBMEN1KMT2A
SCHEMBL2378788 0.72 GRM5 (0.43) LMNA
SCHEMBL27585155 0.71 CYP3A4 (0.59) POLBCYP11B2CHRNB4CHRNA3LMNA
SCHEMBL27749291 0.69 ALDH1A1 (0.43) LMNA
SCHEMBL4630595 0.69 GRM5 (0.69) POLB
SCHEMBL1020277 0.69 GRM5 (0.50)
SCHEMBL29050434 0.68 POLB (0.50) POLBCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL10460756 0.68 KDM4E (0.43) MEN1KMT2AL3MBTL1

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 POLB 4582/4885CYP11B2 925/4885CHRNB4 240/4885
US-20080103306-A1 IMIDAZOLE DERIVATIVES GRIK5, GRM5, GRIN2B POLB 4419/4885CYP11B2 782/4885CHRNB4 259/4885
US-20040248888-A1 Imidazole derivatives GRIK5, GRM5, GRIN2B POLB 4152/4885CYP11B2 695/4885CHRNB4 263/4885
US-20050143375-A1 Imidazole derivatives GRM5, GRIK5, GRM2 POLB 4425/4885CYP11B2 239/4885CHRNB4 1021/4885

“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.