SCHEMBL5451488

SCHEMBL5451488

Cc1ccc(C2C(C#N)=C(CC(C)(C)C)NC(C(C)C)=C2C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
ALDH1A1 P00352 11/20 0.35
KDM4E B2RXH2 7/20 0.35
HSD17B10 Q99714 6/20 0.35
MAPT P10636 4/20 0.35
ALOX15 P16050 4/20 0.35
USP2 O75604 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PRNP P04156 1/20 0.35
ALOX12 P18054 1/20 0.35
BRCA1 P38398 1/20 0.35
LMNA P02545 4/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35

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
SCHEMBL5449319 0.88 NR3C2 (0.38) ALDH1A1KDM4EHSD17B10MAPTALOX15
SCHEMBL5457936 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10MAPTALOX15
SCHEMBL5452095 0.86 DPP4 (0.38) DPP4DPP8DPP9ALDH1A1KDM4E
SCHEMBL5448920 0.84 KDM4E (0.38) DPP4DPP8DPP9ALDH1A1KDM4E
SCHEMBL5452688 0.83 DPP4 (0.37) DPP4DPP8DPP9ALDH1A1KDM4E
SCHEMBL5449730 0.81 DPP4 (0.39) DPP4DPP8DPP9ALDH1A1KDM4E
SCHEMBL5449300 0.79 NR3C2 (0.39) ALDH1A1KDM4EHSD17B10MAPTALOX15
SCHEMBL5464109 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10MAPTALOX15
SCHEMBL5445063 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10MAPTALOX15
SCHEMBL5450506 0.77 NR3C2 (0.38) ALDH1A1KDM4EHSD17B10MAPTALOX15

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 DPP4 1/4885DPP8 8/4885DPP9 5/4885

“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.