SCHEMBL2015200

SCHEMBL2015200

Cc1nc(C#Cc2ccnc(Cl)c2)cn1Cc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.42
KCNH2 Q12809 2/20 0.40
ADRA1D P25100 1/20 0.38
FFAR1 O14842 1/20 0.37
ADRB3 P13945 1/20 0.36
TSPO P30536 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
GPR35 Q9HC97 1/20 0.36
GRIN2B Q13224 2/20 0.35
PTK2 Q05397 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CDK2 P24941 1/20 0.35
DYRK1B Q9Y463 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
SCHEMBL2013082 0.90 GRM5 (0.54) GRM5FFAR1GRIN2BPTK2CYP1A2
SCHEMBL2009047 0.90 GRM5 (0.52) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL2010073 0.88 GRM5 (0.43) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL2009210 0.87 LMNA (0.50) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL2013405 0.83 GRM5 (0.50) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL2011405 0.83 GRM5 (0.47) GRM5CYP1A2
SCHEMBL2008101 0.81 GRM5 (0.65) GRM5FFAR1
SCHEMBL2009149 0.80 GRM5 (0.46) GRM5KCNH2ADRA1DFFAR1ADRB3
SCHEMBL2009110 0.80 GRM5 (0.49) GRM5KCNH2FFAR1GRIN2BLMNA
SCHEMBL2009340 0.79 GRM5 (0.46) GRM5KCNH2ADRB3TSPOTMEM97

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 5 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
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 758/4885KCNH2 418/4885ADRA1D 151/4885
US-20090018171-A1 IMIDAZOLE DERIVATIVES CHRM2, CHRM1, ARG1 GRM5 758/4885KCNH2 418/4885ADRA1D 151/4885

“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.