SCHEMBL2011405

SCHEMBL2011405

Cc1nc(C#Cc2cccc(C#N)c2)cn1Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.47
AR P10275 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL2008098 0.85 GRM5 (0.44) GRM5CYP11B1CYP11B2
SCHEMBL2013082 0.83 GRM5 (0.54) GRM5ARCYP1A2
SCHEMBL2015200 0.83 GRM5 (0.42) GRM5CYP1A2
SCHEMBL2007869 0.80 GRM5 (0.50) GRM5
SCHEMBL2014190 0.79 GRM5 (0.50) GRM5
SCHEMBL2010689 0.74 GRM5 (0.49) GRM5
SCHEMBL1023214 0.73 GRM5 (0.60) GRM5
SCHEMBL2013745 0.72 GRM5 (0.53) GRM5
SCHEMBL2009047 0.71 GRM5 (0.52) GRM5
SCHEMBL2008101 0.71 GRM5 (0.65) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964620-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
EP-1831193-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-08 EP disclosed
US-20090018171-A1 IMIDAZOLE DERIVATIVES BUETTELMANN BERND 2009-01-15 US disclosed
US-7452909-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-18 US disclosed
EP-1831193-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 758/4885AR 3345/4885ALDH1A1 1611/4885
US-20090018171-A1 IMIDAZOLE DERIVATIVES CHRM2, CHRM1, ARG1 GRM5 758/4885AR 3345/4885ALDH1A1 1611/4885

“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.