SCHEMBL2461803

SCHEMBL2461803

CC(C)(C)OC(=O)n1cc(CNc2nc[nH]c2C(N)=O)c2c(F)cccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ AURKA O14965 2/20 0.33
▸ RPS6KB1 P23443 2/20 0.33
▸ XDH P47989 4/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ JAK2 O60674 5/20 0.32
▸ JAK1 P23458 5/20 0.32
▸ JAK3 P52333 5/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAP2K4 P45985 1/20 0.32

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
SCHEMBL2457706 0.79 HTR6 (0.41) L3MBTL1EPHX1XDHJAK2JAK1
SCHEMBL30682458 0.74 L3MBTL1 (0.51) L3MBTL1EPHX1PDE10AMEN1KMT2A
SCHEMBL1228708 0.74 L3MBTL1 (0.51) L3MBTL1EPHX1PDE10AMEN1KMT2A
SCHEMBL11942318 0.73 L3MBTL1 (0.47) L3MBTL1EPHX1PDE10AMEN1KMT2A
SCHEMBL11952570 0.73 L3MBTL1 (0.47) L3MBTL1EPHX1PDE10AMEN1KMT2A
SCHEMBL29169600 0.72 L3MBTL1 (0.46) L3MBTL1EPHX1PDE10AMEN1KMT2A
SCHEMBL30682464 0.70 SLC7A5 (0.43) L3MBTL1EPHX1PDE10AMEN1KMT2A
SCHEMBL2461789 0.69 MPO (0.48) L3MBTL1KMT2A
SCHEMBL23300758 0.68 L3MBTL1 (0.42) L3MBTL1EPHX1MEN1KMT2A
SCHEMBL29443974 0.66 MEN1 (0.41) L3MBTL1EPHX1MEN1KMT2A

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-2010535-B1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2012-07-11 — — EP disclosed
US-8026244-B2 Thioxanthine derivatives and their use as inhibitors of MPO ASTRAZENECA AB (SE) 2011-09-27 — — US disclosed
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-06-11 — — US disclosed
EP-2010535-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 — — EP disclosed
WO-2007120098-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 — — 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-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX L3MBTL1 1637/4885EPHX1 158/4885AURKA 4831/4885

“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.

Send feedback