SCHEMBL5450191

SCHEMBL5450191

COC(=O)c1c(C)nc(CC(C)C)c(C#N)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 3/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 3/20 0.49
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
DPP4 P27487 8/20 0.44
DPP8 Q6V1X1 2/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
DPP9 Q86TI2 1/20 0.43
POLB P06746 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
SCHEMBL4112691 0.91 DPP4 (0.51) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL5463700 0.90 ALDH1A1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2HPGDKDM4E
SCHEMBL5449059 0.89 GCGR (0.47) ALDH1A1L3MBTL1SMN1; SMN2HPGDKDM4E
SCHEMBL5457031 0.86 DPP4 (0.51) ALDH1A1L3MBTL1SMN1; SMN2HPGDKDM4E
SCHEMBL5450691 0.85 MEN1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2HPGDKDM4E
SCHEMBL4113999 0.83 DPP4 (0.44) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL5441393 0.83 DPP4 (0.41) ALDH1A1L3MBTL1SMN1; SMN2HPGDKDM4E
SCHEMBL5447333 0.81 DPP4 (0.67) SMN1; SMN2DPP4DPP8DPP9
SCHEMBL5455705 0.81 DPP4 (0.66) ALDH1A1SMN1; SMN2HPGDKDM4EDPP4
SCHEMBL4118962 0.81 ALDH1A1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2HPGDKDM4E

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 ALDH1A1 743/4885L3MBTL1 473/4885SMN1; SMN2 4203/4885

“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.