SCHEMBL4049683

SCHEMBL4049683

CS(=O)(=O)c1ccc(-c2cnc3nc(-c4ccccc4)[nH]c3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.62
NPBWR1 P48145 1/20 0.57
AURKA O14965 3/20 0.51
TBK1 Q9UHD2 1/20 0.49

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
SCHEMBL4056454 0.89 TBK1 (0.55) SCDNPBWR1AURKATBK1
SCHEMBL4054890 0.87 SCD (0.61) SCDNPBWR1AURKATBK1
SCHEMBL4055992 0.87 AURKA (0.68) SCDAURKATBK1
SCHEMBL4061729 0.85 AURKA (0.57) SCDAURKATBK1
SCHEMBL4059131 0.85 AURKA (0.56) SCDAURKATBK1
SCHEMBL4054352 0.83 SCD (0.52) SCDAURKATBK1
SCHEMBL4054623 0.83 SCD (0.54) SCDAURKATBK1
SCHEMBL4055474 0.81 PTGS2 (0.50) SCDAURKATBK1
SCHEMBL4054755 0.80 AURKA (0.53) SCDAURKATBK1
SCHEMBL13608181 0.80 SCD (0.62) SCDNPBWR1

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
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B SCD 4559/4885NPBWR1 1615/4885AURKA 247/4885

“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.