SCHEMBL5238403

SCHEMBL5238403

Cn1c(CN2C(=O)c3ccccc3C2=O)c(OCCc2ccccc2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.45
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
CYP3A4 P08684 1/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
ALDH1A1 P00352 2/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
CASP3 P42574 1/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL5233021 0.89 DPP4 (0.44) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5239816 0.85 DPP4 (0.50) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5239251 0.84 DPP4 (0.49) DPP4CYP3A4KMT2ACASRMAOA
SCHEMBL7008759 0.84 DPP4 (0.60) DPP4CYP3A4KMT2AMAOAMAOB
SCHEMBL5232739 0.84 DPP4 (0.47) DPP4GABRA1GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL5232802 0.83 DPP4 (0.58) DPP4CYP3A4
SCHEMBL5237934 0.81 DPP4 (0.45) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5239103 0.80 DPP4 (0.41) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL6695926 0.80 DPP4 (0.45) DPP4CYP3A4TP53MAPTCASR
SCHEMBL5236241 0.80 PDE10A (0.46) DPP4GABRA1GABRG2GABRB3GABRA5

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.