SCHEMBL4054623

SCHEMBL4054623

COc1ccccc1-c1nc2ncc(-c3ccc(S(C)(=O)=O)cc3)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.54
PDE5A O76074 4/20 0.53
AURKA O14965 2/20 0.53
FYN P06241 2/20 0.47
PTGS2 P35354 3/20 0.44
KCNH2 Q12809 1/20 0.43
PDE10A Q9Y233 1/20 0.43
IKBKE Q14164 1/20 0.42
AURKB Q96GD4 1/20 0.42
TBK1 Q9UHD2 1/20 0.42

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
SCHEMBL4059875 0.86 PDE5A (0.62) PDE5AAURKAPDE10AIKBKETBK1
SCHEMBL4051632 0.83 SCD (0.53) SCDPDE5AAURKAAURKBTBK1
SCHEMBL4049683 0.83 SCD (0.62) SCDAURKATBK1
SCHEMBL13607947 0.83 FYN (0.49) SCDPDE5AFYNPTGS2KCNH2
SCHEMBL4055992 0.82 AURKA (0.68) SCDAURKAIKBKEAURKBTBK1
SCHEMBL4061801 0.82 PDE5A (0.54) PDE5AAURKAFYNPDE10AIKBKE
SCHEMBL4061729 0.81 AURKA (0.57) SCDAURKAPTGS2IKBKEAURKB
SCHEMBL4055971 0.79 AURKA (0.56) PDE5AAURKAFYNIKBKEAURKB
SCHEMBL4051168 0.79 PDE5A (0.58) SCDPDE5AAURKAPDE10A
SCHEMBL4060342 0.78 PDE5A (0.57) PDE5AAURKAPDE10A

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 4559/4885PDE5A 2762/4885AURKA 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.