SCHEMBL5718802

SCHEMBL5718802

CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 4/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.47
DPP4 P27487 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL5719333 0.87 NPC1 (0.48) GAAL3MBTL1ALDH1A1TP53HSD17B10
SCHEMBL5719154 0.87 ALDH1A1 (0.41) GAAL3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL5719594 0.86 GAA (0.41) GAAL3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL2952546 0.85 DPP4 (0.45) GAAL3MBTL1DPP4
SCHEMBL5275990 0.85 DPP4 (0.64) L3MBTL1DPP4
SCHEMBL5719100 0.84 ALDH1A1 (0.67) GAAL3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL5719105 0.83 MAPK1 (0.60) GAAL3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL5718830 0.83 DPP4 (0.40) GAAL3MBTL1SMN1; SMN2DPP4MEN1
SCHEMBL5719172 0.83 DPP4 (0.53) DPP4
SCHEMBL5719159 0.83 POLB (0.67) GAAL3MBTL1ALDH1A1TP53DPP4

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 GAA 2197/4885L3MBTL1 1200/4885ALDH1A1 112/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 GAA 183/4885L3MBTL1 4196/4885ALDH1A1 3230/4885

“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.