SCHEMBL4709944

SCHEMBL4709944

CCCCn1c(CO)c(-c2ccccc2)c2cc(Br)ccc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 13/20 0.62
DPP4 P27487 4/20 0.60
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PGR P06401 1/20 0.46

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
SCHEMBL4710850 0.85 MAPK8 (0.69) MAPK8DPP4
SCHEMBL4709351 0.84 MAPK8 (0.65) MAPK8DPP4ALDH1A1
SCHEMBL5240940 0.83 DPP4 (0.79) MAPK8DPP4
SCHEMBL4711235 0.83 MAPK8 (0.81) MAPK8
SCHEMBL4712873 0.82 MAPK8 (0.67) MAPK8DPP4
SCHEMBL4713715 0.77 MAPK8 (0.70) MAPK8
SCHEMBL4710851 0.77 MAPK8 (0.54) MAPK8DPP4
SCHEMBL4710445 0.77 MAPK8 (1.00) MAPK8DPP4
SCHEMBL4711756 0.77 MAPK8 (0.73) MAPK8DPP4
SCHEMBL5234581 0.75 DPP4 (1.00) DPP4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402595-B2 Enzyme inhibitors with isoquinolinone structures TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-22 US disclosed
US-20050148624-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 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-20050148624-A1 Jnk inhibitor MAPK3, MAPKAPK3, MAPK1 MAPK8 5/4885DPP4 3669/4885ALDH1A1 4549/4885

“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.