SCHEMBL5463182

SCHEMBL5463182

Cn1c(=O)c2c(nc(SC(C)(C)CN)n2CC(=O)c2ccccc2)n(C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
LMNA P02545 2/20 0.56
HSD17B10 Q99714 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
TSHR P16473 5/20 0.53
MAPT P10636 2/20 0.53
HIF1A Q16665 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
DPP4 P27487 2/20 0.52
USP2 O75604 1/20 0.52
CASP1 P29466 1/20 0.52
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 2/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PLD3 Q8IV08 1/20 0.48

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
SCHEMBL5464634 0.86 DPP4 (0.57) ALDH1A1LMNAHSD17B10NPSR1DPP4
SCHEMBL5458034 0.86 DPP4 (0.69) ALDH1A1DPP4
Hydrochloric Acid SCHEMBL5185532 0.85 DPP4 (0.53) ALDH1A1LMNAHSD17B10NPSR1TSHR
Hydrochloric Acid SCHEMBL5471020 0.85 DPP4 (0.68) ALDH1A1DPP4
SCHEMBL5477266 0.83 DPP4 (0.51) ALDH1A1LMNAHSD17B10NPSR1TSHR
SCHEMBL5458041 0.83 DPP4 (0.51) ALDH1A1LMNAHSD17B10NPSR1MAPT
SCHEMBL5184428 0.82 DPP4 (0.50) ALDH1A1HSD17B10NPSR1HIF1ADPP4
SCHEMBL5455586 0.82 DPP4 (0.50) ALDH1A1LMNAHSD17B10NPSR1TSHR
SCHEMBL5469361 0.82 DPP4 (0.49) ALDH1A1HSD17B10NPSR1TSHRMAPT
SCHEMBL5469018 0.80 DPP4 (0.48) ALDH1A1LMNAHSD17B10NPSR1HIF1A

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 ALDH1A1 673/4885LMNA 1716/4885HSD17B10 73/4885

“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.