SCHEMBL5458369

SCHEMBL5458369

Cc1ccc(-c2c(CSc3nncn3C)c(C)nc(CC(C)(C)C)c2CNC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.48
DPP9 Q86TI2 8/20 0.44
DPP8 Q6V1X1 6/20 0.44
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 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
SCHEMBL5740583 0.92 DPP4 (0.42) DPP4DPP9DPP8NPC1RAB9A
Hydrochloric Acid SCHEMBL5446360 0.85 DPP4 (0.56) DPP4DPP9DPP8NPC1RAB9A
SCHEMBL5445193 0.81 DPP4 (0.48) DPP4DPP9DPP8TP53POLB
SCHEMBL5457120 0.81 DPP4 (0.52) DPP4DPP9DPP8ALDH1A1SMN1; SMN2
SCHEMBL5740578 0.80 DPP4 (0.40) DPP4DPP9DPP8NPC1RAB9A
SCHEMBL4119064 0.78 DPP4 (0.60) DPP4DPP9DPP8
SCHEMBL5442503 0.78 DPP4 (0.49) DPP4DPP9DPP8NPC1RAB9A
SCHEMBL5463024 0.78 DPP4 (0.49) DPP4DPP9DPP8NPC1RAB9A
SCHEMBL5443496 0.78 DPP4 (0.48) DPP4DPP9DPP8SMN1; SMN2L3MBTL1
SCHEMBL5442960 0.76 DPP4 (0.66) DPP4DPP9DPP8

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 1 patent. 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

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 1/4885DPP9 5/4885DPP8 8/4885

“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.