SCHEMBL5183129

SCHEMBL5183129

CC(C)=CCn1c(SC(C)(C)CN)nc2c1c(=O)n(CC(N)=O)c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.50
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.44
BRAF P15056 1/20 0.43
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
CHRM1 P11229 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL5467437 0.86 DPP4 (0.45) DPP4NPSR1LMNAHTTBRAF
SCHEMBL5181969 0.86 DPP4 (0.45) DPP4NPSR1LMNAHTTBRAF
SCHEMBL5458034 0.86 DPP4 (0.69) DPP4BRAFALDH1A1CHRM1CHRM2
Hydrochloric Acid SCHEMBL5471020 0.85 DPP4 (0.68) DPP4BRAFALDH1A1CHRM1CHRM2
SCHEMBL5465205 0.84 DPP4 (0.58) DPP4HTTBRAFALDH1A1TSHR
SCHEMBL5470877 0.83 DPP4 (0.55) DPP4BRAFCHRM1CHRM2CHRM3
Hydrochloric Acid SCHEMBL5182318 0.82 MAPT (0.49) DPP4BRAFTRPA1L3MBTL1TSHR
SCHEMBL5471005 0.82 DPP4 (0.57) DPP4BRAFMAPK1TSHRCHRM1
Hydrochloric Acid SCHEMBL5466172 0.81 BRAF (0.52) DPP4NPSR1LMNABRAFALDH1A1
SCHEMBL5460974 0.81 DPP4 (0.54) DPP4NPSR1LMNABRAFTSHR

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 4 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
EP-1778689-A1 SUBSTITUTED 8-AMINOALKYLTHIO-XANTHINES, AND THE USE THEREOF AS INHIBITORS OF THE DIPEPTIDYL PEPTIDASE IV Sanofi-Aventis Deutschland GmbH (DE) 2007-05-02 EP disclosed
WO-2006015691-A1 SUBSTITUTED 8-AMINOALKYLTHIO-XANTHINES, AND THE USE THEREOF AS INHIBITORS OF THE DIPEPTIDYL PEPTIDASE IV SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-16 WO 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 1/4885NPSR1 2782/4885LMNA 1716/4885

“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.