SCHEMBL5234450

SCHEMBL5234450

Cn1c(CN2C(=O)c3ccccc3C2=O)c(-c2ccc(O)cc2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.57
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
TACR1 P25103 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
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
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDE10A Q9Y233 1/20 0.39
MAPK8 P45983 1/20 0.39

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
SCHEMBL5237491 0.90 DPP4 (0.55) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5233652 0.89 DPP4 (0.57) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5233415 0.88 DPP4 (0.55) DPP4KCNA5KCNH2PDE10A
SCHEMBL5240683 0.87 DPP4 (0.62) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5234162 0.87 DPP4 (0.54) DPP4TACR1
SCHEMBL5232687 0.82 DPP4 (0.53) DPP4SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL7004422 0.81 DPP4 (0.77) DPP4TACR1KCNA5KCNH2
SCHEMBL5235704 0.80 DPP4 (0.52) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5238009 0.80 DPP4 (0.52) DPP4GABRA1GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL5239422 0.80 DPP4 (0.76) DPP4TACR1KCNA5KCNH2

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 DPP4 2/4885GABRA1 3124/4885GABRG2 3321/4885

“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.