SCHEMBL2954897

SCHEMBL2954897

Cn1c(=O)[nH]c2nc(N3CCN(C(=O)OC(C)(C)C)CC3)n(-c3ccccc3Cl)c2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.40
CYBB P04839 1/20 0.40
NOX5 Q96PH1 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
KIT P10721 1/20 0.40
MAPK8 P45983 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
CCNK O75909 1/20 0.39

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
SCHEMBL5719184 0.86 L3MBTL1 (0.58) GAAL3MBTL1MAPTTSHRHSD17B10
SCHEMBL2957517 0.85 MAPT (0.43) GAAL3MBTL1MAPTTSHRHSD17B10
SCHEMBL2957100 0.84 CNR1 (0.43) GAAL3MBTL1MAPTTSHRHSD17B10
SCHEMBL5719246 0.84 L3MBTL1 (0.45) GAAL3MBTL1MAPTTSHRCNR1
SCHEMBL6945818 0.81 DPP4 (0.48) GAAL3MBTL1MAPTTSHRHSD17B10
SCHEMBL5719260 0.81 CNR1 (0.41) GAAL3MBTL1MAPTTSHRHSD17B10
Trifluoroacetic Acid SCHEMBL5718931 0.80 DPP4 (0.42) GAAL3MBTL1HSD17B10MEN1KMT2A
SCHEMBL5718793 0.80 MEN1 (0.42) GAAL3MBTL1MAPTTSHRCNR1
SCHEMBL5719021 0.79 L3MBTL1 (0.42) GAAL3MBTL1MAPTTSHRCNR1
SCHEMBL5719230 0.78 CNR1 (0.41) GAAL3MBTL1MAPTTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 US disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP 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 (5 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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 GAA 2197/4885L3MBTL1 1200/4885MAPT 3970/4885
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 GAA 4588/4885L3MBTL1 3126/4885MAPT 2594/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 GAA 183/4885L3MBTL1 4196/4885MAPT 4004/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 GAA 3065/4885L3MBTL1 1022/4885MAPT 4084/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 GAA 3065/4885L3MBTL1 1022/4885MAPT 4084/4885

“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.