SCHEMBL5719239

SCHEMBL5719239

Cn1c(=O)c2c(nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2-c2ccccc2/C=N\O)n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR1A P08908 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37

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
SCHEMBL5719240 1.00 HTR2A (0.40) HTR2AL3MBTL1MAOBALDH1A1TSHR
SCHEMBL5718982 0.91 HTR2A (0.42) HTR2AL3MBTL1MAOBALDH1A1TSHR
SCHEMBL5718837 0.90 HTR2A (0.41) HTR2AL3MBTL1MAOBALDH1A1TSHR
SCHEMBL5719246 0.85 L3MBTL1 (0.45) HTR2AL3MBTL1MAOBALDH1A1TSHR
SCHEMBL5719352 0.84 HTR2A (0.45) HTR2AL3MBTL1MAOBALDH1A1TSHR
SCHEMBL5718930 0.84 ALDH1A1 (0.47) HTR2AL3MBTL1MAOBALDH1A1TSHR
SCHEMBL5719569 0.83 L3MBTL1 (0.42) HTR2AL3MBTL1MAOBALDH1A1TSHR
SCHEMBL5719278 0.80 MAOB (0.46) L3MBTL1MAOBALDH1A1TSHRSMN1; SMN2
SCHEMBL5719669 0.78 LMNA (0.37) L3MBTL1MAOBALDH1A1TSHRSMN1; SMN2
SCHEMBL5772349 0.78 HTR2A (0.48) HTR2AL3MBTL1MAOBALDH1A1TSHR

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 4 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
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 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 (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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 HTR2A 1359/4885L3MBTL1 1200/4885MAOB 996/4885

“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.