SCHEMBL5236241

SCHEMBL5236241

COc1c(CN2C(=O)c3ccccc3C2=O)n(C)c(=O)c2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.46
DPP4 P27487 3/20 0.45
GRM5 P41594 1/20 0.41
CASP3 P42574 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HSD11B1 P28845 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL5232739 0.95 DPP4 (0.47) PDE10ADPP4GRM5CASP3MEN1
SCHEMBL5237934 0.83 DPP4 (0.45) PDE10ADPP4CASP3MEN1LMNA
SCHEMBL5233021 0.82 DPP4 (0.44) PDE10ADPP4GRM5MEN1LMNA
SCHEMBL5240683 0.81 DPP4 (0.62) PDE10ADPP4MEN1LMNATP53
SCHEMBL5233415 0.81 DPP4 (0.55) PDE10ADPP4CASP3
SCHEMBL5233222 0.80 DPP4 (0.46) DPP4TDP1GABRA1GABRG2GABRB3
SCHEMBL5238403 0.80 DPP4 (0.45) PDE10ADPP4CASP3MEN1LMNA
SCHEMBL5232687 0.79 DPP4 (0.53) PDE10ADPP4GRM5CASP3MEN1
SCHEMBL5236325 0.79 ABCB11 (0.47) DPP4TDP1GABRA1GABRG2GABRB3
SCHEMBL5239103 0.78 DPP4 (0.41) PDE10ADPP4GRM5SMN1; SMN2NPSR1

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 PDE10A 4804/4885DPP4 2/4885GRM5 2008/4885

“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.