SCHEMBL2010073

SCHEMBL2010073

Cc1ccc(Cn2cc(C#Cc3ccnc(Cl)c3)nc2C)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.43
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 2/20 0.40
FFAR1 O14842 1/20 0.40
ADRB3 P13945 1/20 0.37
TSPO P30536 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GPR35 Q9HC97 1/20 0.37
SOS1 Q07889 1/20 0.36
ADORA1 P30542 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
DCTPP1 Q9H773 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
SCHEMBL2009210 0.92 LMNA (0.50) GRM5LMNAL3MBTL1KCNH2FFAR1
SCHEMBL2013745 0.91 GRM5 (0.53) GRM5LMNAL3MBTL1FFAR1SOS1
SCHEMBL2015200 0.88 GRM5 (0.42) GRM5LMNAL3MBTL1KCNH2FFAR1
SCHEMBL2012209 0.87 GRM5 (0.51) GRM5LMNAL3MBTL1FFAR1
SCHEMBL2013405 0.86 GRM5 (0.50) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL2009047 0.86 GRM5 (0.52) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL2010689 0.86 GRM5 (0.49) GRM5LMNAL3MBTL1KCNH2
SCHEMBL2013082 0.80 GRM5 (0.54) GRM5FFAR1
SCHEMBL2009340 0.80 GRM5 (0.46) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL2013401 0.80 GRM5 (0.66) GRM5LMNAKCNH2FFAR1SOS1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831193-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-08 EP claimed
US-7452909-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-18 US claimed
EP-1831193-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP claimed
WO-2005023795-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO claimed
US-20050054686-A1 Imidazole derivatives HOFFMANN-LA ROCHE INC. 2005-03-10 US claimed
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 758/4885LMNA 3620/4885L3MBTL1 4023/4885
US-20090018171-A1 IMIDAZOLE DERIVATIVES CHRM2, CHRM1, ARG1 GRM5 758/4885LMNA 3620/4885L3MBTL1 4023/4885

“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.