SCHEMBL3065095

SCHEMBL3065095

CC(Nc1ccccc1C#N)c1c(N2CCCC(N)C2)nc[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.45
IRAK4 Q9NWZ3 2/20 0.43
DPP8 Q6V1X1 1/20 0.41
LRRK2 Q5S007 1/20 0.40
PRKCQ Q04759 1/20 0.40
MAP4K1 Q92918 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
SCHEMBL3069487 0.84 DPP4 (0.45) DPP4LRRK2PRKCQMAP4K1
SCHEMBL3071649 0.83 DPP4 (0.46) DPP4IRAK4
SCHEMBL13139862 0.75 DPP4 (0.54) DPP4DPP8
SCHEMBL3073729 0.75 DPP4 (0.54) DPP4DPP8
SCHEMBL13236880 0.75 DPP4 (0.54) DPP4DPP8
SCHEMBL13139851 0.69 DPP4 (0.50) DPP4DPP8
SCHEMBL3065092 0.69 DPP4 (0.50) DPP4DPP8
SCHEMBL3063725 0.68 DPP4 (0.48) DPP4
SCHEMBL3071647 0.64 DPP4 (0.50) DPP4
SCHEMBL13139849 0.64 DPP4 (0.50) DPP4

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
EP-1699777-B1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2012-12-12 EP claimed
US-7790734-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US claimed
US-20050065145-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US claimed

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-20050065145-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885IRAK4 1855/4885DPP8 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.