SCHEMBL1833909

SCHEMBL1833909

NC(=O)c1ccnc(C2CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.38
DGAT1 O75907 6/20 0.37
SOAT1 P35610 1/20 0.37
CBLB Q13191 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
MC3R P41968 1/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM5A P29375 1/20 0.36
JMJD1C Q15652 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
MAP4K4 O95819 1/20 0.35
CYP17A1 P05093 1/20 0.35
GRM2 Q14416 1/20 0.35
PIM1 P11309 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
SCHEMBL1831858 0.93 ALOX5AP (0.43) GSK3BADORA3TSHRMC4RADRA1A
SCHEMBL5752341 0.85 KDM4E (0.47) CBLBTSHRKDM4EKDM5AJMJD1C
SCHEMBL23166607 0.80 PDE4D (0.43) CBLBALOX5APFEN1KDM4EKDM3A
SCHEMBL19279418 0.80 CBLB (0.37) CBLBKDM4EMAP4K4CYP17A1
SCHEMBL28059189 0.77 KDM4E (0.55) TSHRALOX5APFEN1KDM4EKDM5A
SCHEMBL3906535 0.76 ADORA3 (0.42) GSK3BADORA3TSHRMC4RADRA1A
SCHEMBL30521607 0.76 ADORA3 (0.42) GSK3BADORA3TSHRMC4RADRA1A
SCHEMBL1118328 0.76 CYP1A2 (0.53) KDM4E
SCHEMBL6645725 0.76 PARP1 (0.45)
Hydrochloric Acid SCHEMBL30293923 0.75 CD38 (0.37) GSK3BCBLBGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763517-B1 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-05-11 EP claimed
EP-2243494-A1 Pharmaceutical composition, comprising a steroid-dehydrogenase-reductase inhibitor, and a mineralocorticoid receptor antagonist. OntoChem GmbH (DE) 2010-10-27 EP claimed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US claimed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 EP claimed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO claimed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 US claimed
CN-117777126-A Imidazopyridines as IRAK4 degradants and uses thereof 武汉人福创新药物研发中心有限公司 2024-03-29 CN disclosed
CN-105085482-B Substituted diethylenediamine compound and its application method and purposes 广东东阳光药业有限公司 2018-08-10 CN disclosed
WO-2010121814-A1 PHARMACEUTICAL COMPOSITION, COMPRISING A STEROID-DEHYDROGENASE-REDUCTASE INHIBITOR, AND A MINERALOCORTICOID RECEPTOR ANTAGONIST ONTOCHEM GMBH (DE) 2010-10-28 WO disclosed
EP-2243494-A1 Pharmaceutical composition, comprising a steroid-dehydrogenase-reductase inhibitor, and a mineralocorticoid receptor antagonist. OntoChem GmbH (DE) 2010-10-27 EP disclosed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 EP disclosed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO disclosed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 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 (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-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes HSD11B1, HSD17B1, HSD3B1 GSK3B 196/4885DGAT1 545/4885SOAT1 303/4885

“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.