SCHEMBL5470935

SCHEMBL5470935

Cn1c(=O)c2c(nc(SC(C)(C)CN)n2Cc2ccccc2C#N)n(C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.57
ALDH1A1 P00352 10/20 0.56
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL5184428 0.86 DPP4 (0.50) DPP4ALDH1A1KMT2AHSD17B10NPSR1
SCHEMBL5471011 0.85 ALDH1A1 (0.69) DPP4ALDH1A1KMT2AGAAHSD17B10
SCHEMBL555383 0.80 DPP4 (0.61) DPP4ALDH1A1KMT2AGAAHSD17B10
SCHEMBL28047362 0.79 DPP4 (0.59) DPP4ALDH1A1KMT2AGAAHSD17B10
SCHEMBL1242754 0.78 ALDH1A1 (0.60) DPP4ALDH1A1KMT2AHTTL3MBTL1
SCHEMBL25236281 0.78 POLB (0.70) ALDH1A1KMT2AHTTMEN1TSHR
SCHEMBL28047331 0.76 KMT2A (0.65) DPP4ALDH1A1KMT2AHSD17B10HTT
SCHEMBL5463182 0.76 ALDH1A1 (0.57) DPP4ALDH1A1GAAHSD17B10HTT
SCHEMBL5465163 0.76 MAOB (0.54) ALDH1A1KMT2AGAAHSD17B10HPGD
SCHEMBL5182066 0.75 MAPK1 (0.55) ALDH1A1KMT2AGAAHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236810-B2 Substituted 8-aminoalkylthioxanthines, and their use as inhibitors of dipeptidyl peptidase IV SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-08-07 US disclosed
US-20070265284-A1 SUBSTITUTED 8-AMINOALKYLTHIOXANTHINES, AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-11-15 US 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-20070265284-A1 SUBSTITUTED 8-AMINOALKYLTHIOXANTHINES, AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV DPP4, DPP8, DPP7 DPP4 1/4885ALDH1A1 673/4885KMT2A 2721/4885

“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.