SCHEMBL5239150

SCHEMBL5239150

CCCCOc1c(N(C)C(=O)O)n(CC(C)C)c(=O)c2ccc(-c3nc(C)c(C#N)s3)cc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.39
TARBP2 Q15633 2/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
PGR P06401 1/20 0.39
CHRM1 P11229 1/20 0.39
PDE4A P27815 1/20 0.39
BLVRB P30043 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PIK3CA P42336 1/20 0.33
DPP4 P27487 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPID Q08752 1/20 0.32

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
SCHEMBL5234405 0.87 TARBP2 (0.39) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL5236092 0.86 DPP4 (0.33) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL5240636 0.85 XDH (0.37) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL6109417 0.85 XDH (0.35) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL5236439 0.84 DPP4 (0.44) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL5236363 0.83 PDE5A (0.35) PIK3CADPP4MEN1KMT2A
Hydrochloric Acid SCHEMBL5234454 0.83 DPP4 (0.43) DPP4
SCHEMBL6109415 0.82 XDH (0.36) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL5237708 0.81 DPP4 (0.46) DPP4KMT2A
SCHEMBL5237315 0.80 DPP4 (0.42) 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-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US disclosed
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 XDH 267/4885TARBP2 4572/4885ABCC4 1267/4885

“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.