SCHEMBL5718847

SCHEMBL5718847

C=Cc1ccccc1-n1c(N2CCNCC2)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.58
POLB P06746 3/20 0.52
SIRT5 Q9NXA8 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 4/20 0.46
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 3/20 0.44
GAA P10253 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL5789166 0.85 DPP4 (0.58) DPP4KMT2AALDH1A1NPSR1TSHR
SCHEMBL5792690 0.85 DPP4 (0.64) DPP4POLBSIRT5MEN1KMT2A
SCHEMBL5789162 0.83 DPP4 (0.59) DPP4POLBSIRT5MEN1KMT2A
SCHEMBL5775319 0.82 GAA (0.48) DPP4POLBMEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL5719238 0.78 DPP4 (0.52) DPP4MEN1KMT2AALDH1A1NPSR1
Trifluoroacetic Acid SCHEMBL5719533 0.78 DPP4 (0.43) DPP4POLBSIRT5MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5719494 0.78 DPP4 (0.58) DPP4POLBSIRT5MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5719106 0.76 DPP4 (0.54) DPP4POLBSIRT5MEN1KMT2A
SCHEMBL5789482 0.76 DPP4 (0.50) DPP4ALDH1A1NPSR1TSHR
SCHEMBL5719546 0.76 DPP4 (0.35) DPP4POLBSIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US claimed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP claimed
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 DPP4 1/4885POLB 3415/4885SIRT5 1551/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DPP4 1/4885POLB 4529/4885SIRT5 905/4885

“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.