SCHEMBL2875438

SCHEMBL2875438

CCOC(=O)c1cc2cc(O)cnc2n1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
ADORA3 P0DMS8 3/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 1/20 0.36
CSNK1D P48730 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL5220970 0.89 NOD2 (0.40) NOD2NOD1ADORA3ADORA2AADORA1
SCHEMBL5223580 0.87 HPGD (0.38) NOD2NOD1ADORA3ADORA2AADORA1
SCHEMBL4598165 0.81 NOD2 (0.44) NOD2NOD1ADORA3MEN1KMT2A
SCHEMBL5220157 0.81 NOD2 (0.36) NOD2NOD1ADORA3ADORA2AMEN1
SCHEMBL5223527 0.81 NOD2 (0.36) NOD2NOD1ADORA3MEN1KMT2A
SCHEMBL5217021 0.80 GRM5 (0.46) NOD2NOD1ADORA3ADORA2AADORA1
SCHEMBL5761257 0.80 NOD2 (0.40) NOD2NOD1ADORA3MEN1KMT2A
SCHEMBL5220266 0.79 NOD2 (0.37) NOD2NOD1ADORA3ADORA2AMEN1
SCHEMBL5221628 0.79 POLB (0.35) NOD2NOD1ADORA3ADORA2AADORA1
SCHEMBL5222402 0.79 NOD2 (0.35) NOD2NOD1ADORA3ADORA2AADORA1

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
EP-1966199-B1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-20 EP disclosed
US-7622466-B2 Azaindole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-20090005379-A1 Azaindole-2-Carboxamide Derivatives HOFFMANN-LA ROCHE, INC. 2009-01-01 US disclosed
CN-101312969-A Azaindole-2-carboxamide derivatives HOFFMANN LA ROCHE (CH) 2008-11-26 CN disclosed
EP-1966199-A1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
CN-100400538-C 5HT for the treatment of diabetes and obesity2cReceptor agonists HOFFMANN LA ROCHE (CH) 2008-07-09 CN disclosed
EP-1641796-B1 5HT2C RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY HOFFMANN LA ROCHE (CH) 2007-06-06 EP disclosed
WO-2007057329-A1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-24 WO disclosed
US-7208494-B2 5HT2c receptor agonists HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
CN-1812989-A 5ht2c receptor agonists for the treatment of diabetes and obesity HOFFMANN LA ROCHE (CH) 2006-08-02 CN disclosed
EP-1641796-A1 5HT2C RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2006-04-05 EP disclosed
US-20050026925-A1 5HT2c receptor agonists HOFFMANN-LA ROCHE INC. 2005-02-03 US disclosed
WO-2005000849-A1 5HT2C RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO 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-20050026925-A1 5HT2c receptor agonists HTR2C, HTR2A, HTR5A NOD2 2274/4885NOD1 2471/4885ADORA3 113/4885
US-20090005379-A1 Azaindole-2-Carboxamide Derivatives HRH3, HRH4, H1-5 NOD2 2810/4885NOD1 3545/4885ADORA3 49/4885

“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.