SCHEMBL5234053

SCHEMBL5234053

CCCCOc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)n(CC(C)C)c(=O)c2ccc(-c3nc(C)c(C(=O)OCC)s3)cc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CDC7 O00311 2/20 0.34
DBF4 Q9UBU7 2/20 0.34
TSHR P16473 1/20 0.33
MDM2 Q00987 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KIF15 Q9NS87 1/20 0.31
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31
XIAP P98170 1/20 0.31

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
SCHEMBL5234996 0.89 DPP4 (0.40) TP53
SCHEMBL5321491 0.89 RAB9A (0.34) MDM2MEN1KMT2A
SCHEMBL5232834 0.86 CDC7 (0.37) LMNACDC7DBF4TSHRMEN1
SCHEMBL27599399 0.85 ACHE (0.34) MDM2KMT2AMDM4TP53
SCHEMBL6112299 0.83 RAB9A (0.33) MEN1KMT2ATP53XIAP
Hydrochloric Acid SCHEMBL5232287 0.81 DPP4 (0.43) LMNACDC7DBF4
SCHEMBL5234400 0.79 DPP4 (0.39) MEN1KMT2ATP53
SCHEMBL5231027 0.79 TARBP2 (0.42) KDM4EALDH1A1
SCHEMBL5317843 0.78 DPP4 (0.39)
SCHEMBL6112296 0.78 RAB9A (0.34) MDM2MEN1KMT2AMDM4TP53

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-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 LMNA 1764/4885CDC7 4413/4885DBF4 4177/4885

“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.