SCHEMBL2385273

SCHEMBL2385273

COC(=O)c1[nH]nnc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 2/20 0.38
HAO1 Q9UJM8 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 5/20 0.34
STAT3 P40763 1/20 0.34
HIF1A Q16665 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL1930167 0.88 KDM4C (0.53) KDM4CNPSR1MAPK1ALDH1A1LMNA
SCHEMBL5185712 0.85 KDM4C (0.46) KDM4CNPSR1MAPK1HAO1LMNA
Water SCHEMBL6474736 0.77 LDHA (0.37) MAPK1HAO1HCAR2
SCHEMBL19661284 0.77 KDM4C (0.46) KDM4CNPSR1MAPK1ALDH1A1LMNA
SCHEMBL9587880 0.76 KDM4C (0.44) KDM4CNPSR1MAPK1ALDH1A1LMNA
SCHEMBL23294432 0.74 KDM4C (0.43) KDM4CNPSR1MAPK1ALDH1A1LMNA
SCHEMBL3958675 0.74 KDM4C (0.43) KDM4CNPSR1MAPK1ALDH1A1LMNA
SCHEMBL9642740 0.74 KDM4C (0.43) KDM4CNPSR1MAPK1HAO1ALDH1A1
SCHEMBL21621355 0.74 KDM4C (0.43) KDM4CNPSR1MAPK1ALDH1A1GAA
SCHEMBL23608732 0.72 HAO1 (0.35) HAO1LMNAHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552918-B1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-11 EP disclosed
US-8410117-B2 Imidazopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
EP-2552918-A1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-02-06 EP disclosed
CN-102232069-A N-acetylneuraminic acid compound, pharmaceutical composition thereof, preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2011-11-02 CN disclosed
US-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2011-09-29 US disclosed
WO-2011117264-A1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
CN-100548992-C The 1,2,3-triazoles derivative of microbicidel (for example sterilization) SYNGENTA PARTICIPATIONS AG (CH) 2009-10-14 CN disclosed
CN-1678593-A Microbiocidal (e.g. fungicidal) 1,2,3-triazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2005-10-05 CN 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 (1 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-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES PDE5A, PDE3B, PDE3A KDM4C 1702/4885NPSR1 1343/4885MAPK1 1885/4885

“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.