SCHEMBL5458041

SCHEMBL5458041

Cn1c(=O)n(CC(=O)c2ccccc2)c(=O)c2c1nc(SC(C)(C)CN)n2Cc1cc(F)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.51
ALDH1A1 P00352 5/20 0.49
BRAF P15056 2/20 0.48
THRB P10828 3/20 0.45
MAPT P10636 1/20 0.45
PIK3CG P48736 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.43
CHRM1 P11229 4/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
KCNH2 Q12809 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL5469361 0.92 DPP4 (0.49) DPP4ALDH1A1BRAFTHRBMAPT
SCHEMBL5469018 0.87 DPP4 (0.48) DPP4ALDH1A1BRAFTHRBPIK3CG
SCHEMBL5466456 0.87 ALDH1A1 (0.47) DPP4ALDH1A1BRAFTHRBMAPT
SCHEMBL5184428 0.84 DPP4 (0.50) DPP4ALDH1A1BRAFPIK3CGNPSR1
Hydrochloric Acid SCHEMBL5185532 0.84 DPP4 (0.53) DPP4ALDH1A1BRAFMAPTPIK3CG
SCHEMBL5463182 0.83 ALDH1A1 (0.57) DPP4ALDH1A1MAPTNPSR1HSD17B10
SCHEMBL5464634 0.83 DPP4 (0.57) DPP4ALDH1A1BRAFPIK3CGNPSR1
SCHEMBL5458034 0.83 DPP4 (0.69) DPP4ALDH1A1BRAFPIK3CGCHRM1
Hydrochloric Acid SCHEMBL5471020 0.82 DPP4 (0.68) DPP4ALDH1A1BRAFPIK3CGCHRM1
SCHEMBL5477266 0.82 DPP4 (0.51) DPP4ALDH1A1BRAFMAPTPIK3CG

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 673/4885BRAF 4380/4885

“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.