SCHEMBL2457706

SCHEMBL2457706

CC(C)(C)OC(=O)n1cc(CNc2nc[nH]c2C(N)=O)c2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.41
▸ ROCK2 O75116 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ PRKD2 Q9BZL6 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 3/20 0.35
▸ AKR1C3 P42330 2/20 0.35
▸ XDH P47989 3/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL2461803 0.79 L3MBTL1 (0.36) L3MBTL1XDHEPHX1JAK3JAK2
SCHEMBL17109096 0.74 HTR6 (0.55) HTR6L3MBTL1AKR1C3EPHX1ALDH1A1
SCHEMBL27224136 0.73 ALDH1A1 (0.40) ROCK2CHEK2PRKACARPS6KA3PAK1
SCHEMBL4087217 0.72 HTR6 (0.44) HTR6L3MBTL1MAPTEPHX1ALDH1A1
SCHEMBL15776738 0.71 HTR6 (0.51) HTR6L3MBTL1AKR1C3EPHX1ALDH1A1
SCHEMBL29353520 0.71 HTR6 (0.51) HTR6L3MBTL1AKR1C3EPHX1ALDH1A1
SCHEMBL2456512 0.69 MPO (0.54) HTR6
SCHEMBL16726993 0.69 HTR6 (0.52) HTR6ROCK2CHEK2PRKACARPS6KA3
SCHEMBL25244266 0.68 HTR6 (0.46) HTR6L3MBTL1EPHX1ALDH1A1GABRA1
SCHEMBL29957304 0.68 HTR6 (0.46) HTR6L3MBTL1ALDH1A1GABRA1GABRG2

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 HTR6 3133/4885ROCK2 4394/4885CHEK2 4561/4885

“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.

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