SCHEMBL5240407

SCHEMBL5240407

Cn1c(CN2C(=O)c3ccccc3C2=O)c(OCc2ccc3ccccc3n2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.40
PDE10A Q9Y233 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DPP4 P27487 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL5235974 0.87 DPP4 (0.42) ALOX5APPDE10ADPP4KDM4EALOX15
SCHEMBL5236857 0.86 ALOX5AP (0.43) ALOX5APPDE10ADPP4KDM4EALOX15
Hydrochloric Acid SCHEMBL5240578 0.85 DPP4 (0.50) ALOX5APPDE10ADPP4KDM4EALOX15
Hydrochloric Acid SCHEMBL5240391 0.85 DPP4 (0.50) ALOX5APPDE10ADPP4KDM4EALOX15
SCHEMBL5239292 0.83 DPP4 (0.40) PDE10ASMN1; SMN2NPSR1DPP4KDM4E
SCHEMBL5233021 0.80 DPP4 (0.44) PDE10ASMN1; SMN2NPSR1DPP4KDM4E
SCHEMBL5238743 0.80 CYSLTR1 (0.46) ALOX5APKDM4EALOX15TSHRTDP1
SCHEMBL5232739 0.80 DPP4 (0.47) PDE10ASMN1; SMN2NPSR1DPP4TDP1
SCHEMBL5238403 0.78 DPP4 (0.45) PDE10ADPP4KDM4ETDP1L3MBTL1
SCHEMBL5237934 0.77 DPP4 (0.45) PDE10ASMN1; SMN2NPSR1DPP4TDP1

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 6 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
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 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 ALOX5AP 3640/4885PDE10A 4804/4885SMN1; SMN2 4002/4885

“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.