SCHEMBL5457960

SCHEMBL5457960

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.52
DPP8 Q6V1X1 4/20 0.52
DPP9 Q86TI2 3/20 0.51
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIA4 P48058 2/20 0.41
GRIA2 P42262 1/20 0.41
XDH P47989 1/20 0.40
ADORA1 P30542 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DHODH Q02127 1/20 0.37

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
SCHEMBL5455705 0.88 DPP4 (0.66) DPP4DPP8DPP9ALDH1A1KDM4E
SCHEMBL5454739 0.87 ALDH1A1 (0.39) DPP4DPP8DPP9ALDH1A1KDM4E
SCHEMBL5741365 0.86 DPP4 (0.55) DPP4DPP8DPP9ALDH1A1KDM4E
SCHEMBL5449433 0.85 DPP4 (0.54) DPP4DPP8DPP9ALDH1A1KDM4E
SCHEMBL5457031 0.82 DPP4 (0.51) DPP4DPP8DPP9ALDH1A1KDM4E
SCHEMBL5442870 0.82 DPP4 (0.78) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5445480 0.81 DPP4 (0.78) DPP4DPP8DPP9
SCHEMBL5444809 0.80 DPP4 (0.57) DPP4DPP8DPP9ALDH1A1KDM4E
SCHEMBL5451800 0.79 DPP4 (0.48) DPP4DPP8DPP9ALDH1A1KDM4E
SCHEMBL5452724 0.77 DPP4 (0.53) DPP4DPP8DPP9ALDH1A1KDM4E

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.