SCHEMBL5719286

SCHEMBL5719286

CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2CC(N)=O

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.76
L3MBTL1 Q9Y468 1/20 0.57
FAP Q12884 5/20 0.55
DPP9 Q86TI2 1/20 0.51
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL5719224 0.94 DPP4 (0.67) DPP4L3MBTL1FAPDPP9
SCHEMBL5719403 0.91 DPP4 (0.77) DPP4L3MBTL1FAPDPP9
SCHEMBL5718795 0.88 DPP4 (0.73) DPP4L3MBTL1FAPDPP9
SCHEMBL5719225 0.88 DPP4 (0.73) DPP4L3MBTL1FAPDPP9
SCHEMBL5719250 0.86 DPP4 (0.83) DPP4L3MBTL1FAPDPP9
SCHEMBL5275960 0.86 DPP4 (1.00) DPP4L3MBTL1FAPDPP9
Trifluoroacetic Acid SCHEMBL6689940 0.86 DPP4 (0.69) DPP4L3MBTL1FAPDPP9
SCHEMBL5719078 0.85 DPP4 (0.82) DPP4L3MBTL1FAPDPP9
Trifluoroacetic Acid SCHEMBL5718973 0.85 DPP4 (0.74) DPP4L3MBTL1FAPDPP9
Trifluoroacetic Acid SCHEMBL5719098 0.84 DPP4 (0.66) DPP4L3MBTL1FAPDPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP claimed
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
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 DPP4 1/4885L3MBTL1 1200/4885FAP 402/4885

“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.