SCHEMBL5238950

SCHEMBL5238950

COc1cccc(-c2c(CO)n(C)c(=O)c3ccc(Cl)cc23)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.57
KCNA5 P22460 3/20 0.54
KCNH2 Q12809 3/20 0.54
PRKCA P17252 1/20 0.46
GSK3B P49841 1/20 0.46
BRD4 O60885 1/20 0.44
MAPK8 P45983 1/20 0.43
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAP4K4 O95819 1/20 0.41
AURKB Q96GD4 1/20 0.41
SRPK1 Q96SB4 1/20 0.41

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
SCHEMBL5236192 0.90 DPP4 (0.58) DPP4KCNA5KCNH2PRKCAGSK3B
SCHEMBL7555668 0.89 DPP4 (0.73) DPP4KCNA5KCNH2PRKCAGSK3B
Hydrochloric Acid SCHEMBL5238032 0.88 DPP4 (0.71) DPP4KCNA5KCNH2PRKCAGSK3B
SCHEMBL5240310 0.87 DPP4 (0.57) DPP4KCNA5KCNH2MAPK8
SCHEMBL5235258 0.86 DPP4 (0.53) DPP4KCNA5KCNH2PRKCAGSK3B
SCHEMBL8787724 0.85 DPP4 (0.77) DPP4KCNA5KCNH2MAPK8MAPT
SCHEMBL5232687 0.83 DPP4 (0.53) DPP4KCNA5KCNH2PRKCAGSK3B
SCHEMBL1381998 0.82 KCNA5 (0.76) DPP4KCNA5KCNH2MAPK8MAPT
SCHEMBL5239049 0.82 GRIA2 (0.48) DPP4KCNA5KCNH2PRKCAGSK3B
SCHEMBL5235693 0.81 MEN1 (0.55) DPP4MAPK8MAPT

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 4 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
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 DPP4 2/4885KCNA5 1288/4885KCNH2 995/4885

“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.