SCHEMBL5449059

SCHEMBL5449059

COC(=O)c1c(C)nc(CC(C)C)c(C#N)c1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.47
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
DPP4 P27487 9/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4112691 0.91 DPP4 (0.51) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL5450191 0.89 ALDH1A1 (0.53) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL5463700 0.88 ALDH1A1 (0.43) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL5450691 0.85 MEN1 (0.43) ALDH1A1L3MBTL1DPP4DPP8GAA
SCHEMBL5457031 0.84 DPP4 (0.51) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL4113999 0.84 DPP4 (0.44) ALDH1A1DPP4DPP8DPP9GAA
SCHEMBL5441393 0.83 DPP4 (0.41) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL5451877 0.82 DPP4 (0.64) GCGRDPP4DPP8DPP9
SCHEMBL4118962 0.81 ALDH1A1 (0.43) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL5456961 0.80 DPP4 (0.48) ALDH1A1L3MBTL1DPP4DPP8DPP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD GCGR 215/4885ALDH1A1 743/4885L3MBTL1 473/4885

“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.