SCHEMBL5454887

SCHEMBL5454887

Cc1nc(CC(C)(C)C)c(C#N)c(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.54
DPP8 Q6V1X1 7/20 0.54
DPP9 Q86TI2 6/20 0.54
MAPT P10636 3/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4106185 0.91 DPP4 (0.65) DPP4DPP8DPP9MAPTGRIA2
SCHEMBL5449188 0.91 DPP4 (0.46) DPP4DPP8DPP9MAPTFABP3
SCHEMBL5450789 0.87 ALDH1A1 (0.44) DPP4DPP8DPP9MAPTKMT2A
SCHEMBL5449214 0.86 DPP4 (0.55) DPP4DPP8DPP9MAPTFABP3
SCHEMBL5454601 0.85 DPP4 (0.56) DPP4DPP8DPP9MAPTFABP3
SCHEMBL5741365 0.84 DPP4 (0.55) DPP4DPP8DPP9MAPTFABP3
SCHEMBL5446384 0.81 DPP4 (0.81) DPP4DPP8DPP9FABP3FABP4
SCHEMBL5457773 0.80 KMT2A (0.43) MAPTGRIA2GRIA4KMT2AALDH1A1
SCHEMBL5449329 0.80 DPP4 (0.66) DPP4DPP8DPP9MAPTFABP3
Hydrochloric Acid SCHEMBL5740718 0.80 DPP4 (0.83) DPP4DPP8DPP9FABP3FABP4

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.