SCHEMBL5236883

SCHEMBL5236883

Cn1c(CO)c(-c2ccc(C(F)(F)F)cc2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.56
TACR1 P25103 7/20 0.51
CYP2C9 P11712 1/20 0.44
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
NR1H2 P55055 1/20 0.41
RORB Q92753 1/20 0.41
MAPK8 P45983 1/20 0.39
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 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
SCHEMBL5231318 0.89 DPP4 (0.57) DPP4TACR1CYP2C9RORARORC
Hydrochloric Acid SCHEMBL5239841 0.87 DPP4 (0.71) DPP4TACR1CYP2C9RORARORC
SCHEMBL5240910 0.87 DPP4 (0.59) DPP4TACR1MAPK8KCNA5KCNH2
SCHEMBL5238106 0.85 DPP4 (0.53) DPP4TACR1
SCHEMBL8787724 0.84 DPP4 (0.77) DPP4TACR1MAPK8KCNA5KCNH2
SCHEMBL6107908 0.83 TACR1 (0.54) DPP4TACR1KCNA5KCNH2
SCHEMBL5240310 0.82 DPP4 (0.57) DPP4MAPK8KCNA5KCNH2
SCHEMBL5234162 0.82 DPP4 (0.54) DPP4TACR1CYP2C9
SCHEMBL5233313 0.81 TACR1 (0.61) DPP4TACR1CYP2C9MAPK8
SCHEMBL5237400 0.79 DPP4 (0.69) DPP4TACR1MAPK8KCNA5KCNH2

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 5 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-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 DPP4 2/4885TACR1 1624/4885CYP2C9 1803/4885

“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.