SCHEMBL5718929

SCHEMBL5718929

Cn1c(=O)c2[nH]c(N3CCN(C(=O)OC(C)(C)C)CC3)nc2n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
DCTPP1 Q9H773 3/20 0.58
MAPT P10636 1/20 0.53
GAA P10253 1/20 0.53
KCNH2 Q12809 1/20 0.44
TSHR P16473 1/20 0.42
MAPK1 P28482 2/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
NAMPT P43490 1/20 0.41
ADORA1 P30542 2/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL5719178 0.84 DCTPP1 (0.43) MEN1KMT2ADCTPP1MAPTGAA
SCHEMBL5719070 0.83 POLB (0.47) MEN1KMT2ADCTPP1MAPTTSHR
SCHEMBL13217675 0.82 KCNH2 (0.44) MEN1KMT2ADCTPP1MAPTKCNH2
SCHEMBL13217520 0.80 KCNH2 (0.43) MEN1KMT2ADCTPP1MAPTKCNH2
SCHEMBL1458459 0.80 ADORA2A (0.61) MEN1KMT2AMAPTTSHRMAPK1
SCHEMBL9620780 0.76 KMT2A (1.00) MEN1KMT2ADCTPP1MAPTGAA
SCHEMBL2962388 0.76 NAMPT (0.46) MAPTKCNH2NAMPTCKS1BSKP1
SCHEMBL554828 0.75 ADORA2A (0.61) MEN1KMT2ATSHRMAPK1ALOX15
SCHEMBL24559169 0.75 LMNA (0.45) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL15749699 0.75 MEN1 (0.76) MEN1KMT2ADCTPP1MAPTGAA

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 MEN1 3419/4885KMT2A 2570/4885DCTPP1 3490/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 MEN1 1858/4885KMT2A 2689/4885DCTPP1 1366/4885

“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.