SCHEMBL5719178

SCHEMBL5719178

Cn1c(=O)n(COC(=O)C(C)(C)C)c(=O)c2[nH]c(N3CCN(C(=O)OC(C)(C)C)CC3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA1 P30542 2/20 0.41
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
KCNH2 Q12809 1/20 0.38
NAMPT P43490 1/20 0.38
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
MAP4K4 O95819 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PLK1 P53350 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL5719070 0.84 POLB (0.47) DCTPP1MEN1KMT2AADORA1MAPT
SCHEMBL5718929 0.84 MEN1 (0.60) DCTPP1MEN1KMT2AADORA1MAPT
SCHEMBL5719356 0.75 ALDH1A1 (0.55) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL13876130 0.72 KIT (0.35) MAPTKCNH2CKS1BSKP1SKP2
SCHEMBL13217675 0.72 KCNH2 (0.44) DCTPP1MEN1KMT2AMAPTKCNH2
SCHEMBL5719040 0.71 DPP4 (0.42)
SCHEMBL5719669 0.71 LMNA (0.37) MAPTGAAALDH1A1LMNA
SCHEMBL5719268 0.70 DPP4 (0.44) MEN1KMT2AKCNH2ALDH1A1LMNA
SCHEMBL13217520 0.70 KCNH2 (0.43) DCTPP1MEN1KMT2AMAPTKCNH2
SCHEMBL2952792 0.69 L3MBTL1 (0.42) MEN1KMT2AMAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 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
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP 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 (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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 DCTPP1 3490/4885MEN1 3419/4885KMT2A 2570/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DCTPP1 1366/4885MEN1 1858/4885KMT2A 2689/4885

“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.