SCHEMBL5240636

SCHEMBL5240636

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.37
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
PGR P06401 1/20 0.37
CHRM1 P11229 1/20 0.37
PDE4A P27815 1/20 0.37
BLVRB P30043 1/20 0.37
TARBP2 Q15633 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
DPP4 P27487 7/20 0.36
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
PIK3CA P42336 1/20 0.33

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
Hydrochloric Acid SCHEMBL5234454 0.88 DPP4 (0.43) DPP4
SCHEMBL5234400 0.87 DPP4 (0.39) XDHABCC4ABCB11PGRCHRM1
SCHEMBL5236088 0.87 DPP4 (0.36) DPP4
SCHEMBL6109417 0.86 XDH (0.35) XDHABCC4ABCB11PGRCHRM1
SCHEMBL5239150 0.85 XDH (0.39) XDHABCC4ABCB11PGRCHRM1
SCHEMBL5240408 0.84 DPP4 (0.50) DPP4
SCHEMBL6109415 0.84 XDH (0.36) XDHABCC4ABCB11PGRCHRM1
SCHEMBL5236356 0.83 TGFBR1 (0.41) DPP4
SCHEMBL5237702 0.82 DPP4 (0.49) DPP4
SCHEMBL5237311 0.81 DPP4 (0.46) 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 267/4885ABCC4 1267/4885ABCB11 1946/4885

“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.