SCHEMBL5465205

SCHEMBL5465205

CC(C)=CCn1c(SC(C)(C)CN)nc2c1c(=O)n(CC(=O)c1ccc(Cl)cc1)c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.58
CHRM1 P11229 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
KCNH2 Q12809 1/20 0.48
BRAF P15056 1/20 0.45
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5458034 0.91 DPP4 (0.69) DPP4CHRM1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL5471020 0.90 DPP4 (0.68) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL5471005 0.90 DPP4 (0.57) DPP4CHRM1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL5182318 0.87 MAPT (0.49) DPP4BRAFTSHRMEN1KMT2A
SCHEMBL5470877 0.86 DPP4 (0.55) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL5183129 0.84 DPP4 (0.50) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL5463563 0.82 DPP4 (0.57) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL5477279 0.81 DPP4 (0.74) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL5465930 0.80 DPP4 (0.54) DPP4CHRM1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL5466172 0.80 BRAF (0.52) DPP4BRAFTSHRMEN1USP2

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 1/4885CHRM1 4333/4885CHRM2 3767/4885

“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.