SCHEMBL2013745

SCHEMBL2013745

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.53
FFAR1 O14842 1/20 0.41
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA1 P30542 3/20 0.36
TLR7 Q9NYK1 3/20 0.36
CSF1R P07333 2/20 0.34
SOS1 Q07889 1/20 0.32
BRD4 O60885 1/20 0.32
WNT3A P56704 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL2010073 0.91 GRM5 (0.43) GRM5FFAR1LMNAL3MBTL1ADORA1
SCHEMBL2012209 0.91 GRM5 (0.51) GRM5FFAR1LMNAL3MBTL1
SCHEMBL2013082 0.89 GRM5 (0.54) GRM5FFAR1BRD4
SCHEMBL2013401 0.86 GRM5 (0.66) GRM5FFAR1LMNASOS1
SCHEMBL2008101 0.86 GRM5 (0.65) GRM5FFAR1BRD4GABRPGABRD
SCHEMBL2015726 0.86 GRM5 (0.55) GRM5FFAR1SOS1GABRPGABRD
SCHEMBL2013751 0.84 GRM5 (0.55) GRM5FFAR1SOS1
SCHEMBL2010689 0.83 GRM5 (0.49) GRM5LMNAL3MBTL1
SCHEMBL2009210 0.83 LMNA (0.50) GRM5FFAR1LMNAL3MBTL1
SCHEMBL2009110 0.82 GRM5 (0.49) GRM5FFAR1LMNAL3MBTL1

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 758/4885FFAR1 3485/4885LMNA 3620/4885
US-20090018171-A1 IMIDAZOLE DERIVATIVES CHRM2, CHRM1, ARG1 GRM5 758/4885FFAR1 3485/4885LMNA 3620/4885

“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.