SCHEMBL5477266

SCHEMBL5477266

Cn1nnc(Cn2c(SC(C)(C)CN)nc3c2c(=O)n(CC(=O)c2ccccc2)c(=O)n3C)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.51
BRAF P15056 2/20 0.46
PIK3CG P48736 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 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
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.41
CASP1 P29466 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5463182 0.83 ALDH1A1 (0.57) DPP4ALDH1A1HSD17B10NPSR1HIF1A
SCHEMBL5464634 0.83 DPP4 (0.57) DPP4BRAFPIK3CGALDH1A1HSD17B10
SCHEMBL5458034 0.83 DPP4 (0.69) DPP4BRAFPIK3CGALDH1A1CHRM1
SCHEMBL5455586 0.83 DPP4 (0.50) DPP4BRAFPIK3CGALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL5471020 0.82 DPP4 (0.68) DPP4BRAFPIK3CGALDH1A1CHRM1
Hydrochloric Acid SCHEMBL5185532 0.82 DPP4 (0.53) DPP4BRAFPIK3CGALDH1A1HSD17B10
SCHEMBL5458041 0.82 DPP4 (0.51) DPP4BRAFPIK3CGALDH1A1HSD17B10
SCHEMBL5184428 0.81 DPP4 (0.50) DPP4BRAFPIK3CGALDH1A1HSD17B10
SCHEMBL5469361 0.80 DPP4 (0.49) DPP4BRAFPIK3CGALDH1A1HSD17B10
SCHEMBL5469018 0.79 DPP4 (0.48) DPP4BRAFPIK3CGALDH1A1HSD17B10

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 1/4885BRAF 4380/4885PIK3CG 2386/4885

“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.