SCHEMBL5789166

SCHEMBL5789166

C=Cc1ccccc1-n1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.58
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 6/20 0.53
HTR2A P28223 1/20 0.45
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
NUDT5 Q9UKK9 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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 SCHEMBL5719238 0.92 DPP4 (0.52) DPP4L3MBTL1ALDH1A1HTR2AKMT2A
SCHEMBL5789482 0.86 DPP4 (0.50) DPP4L3MBTL1ALDH1A1NPSR1LMNA
SCHEMBL5718847 0.85 DPP4 (0.58) DPP4ALDH1A1KMT2ANPSR1HTT
SCHEMBL5719678 0.84 DPP4 (0.68) DPP4L3MBTL1ALDH1A1HTR2AKMT2A
SCHEMBL5775361 0.83 DPP4 (0.45) DPP4L3MBTL1ALDH1A1HTR2AKMT2A
Trifluoroacetic Acid SCHEMBL5719045 0.83 DPP4 (0.53) DPP4L3MBTL1ALDH1A1HTR2AKMT2A
SCHEMBL5788736 0.83 LMNA (0.48) DPP4L3MBTL1ALDH1A1HTR2ANPSR1
SCHEMBL5789590 0.82 DPP4 (0.59) DPP4L3MBTL1ALDH1A1HTR2ALMNA
Trifluoroacetic Acid SCHEMBL5773381 0.82 DPP4 (0.46) DPP4L3MBTL1ALDH1A1NPSR1LMNA
Trifluoroacetic Acid SCHEMBL5719321 0.82 DPP4 (0.52) DPP4L3MBTL1ALDH1A1HTR2AKMT2A

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 5 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-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 1200/4885ALDH1A1 112/4885

“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.