SCHEMBL2455644

SCHEMBL2455644

COC(OC)C(C)OCc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.41
AURKB Q96GD4 3/20 0.41
INCENP Q9NQS7 3/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
HRH1 P35367 1/20 0.38

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
SCHEMBL22356605 0.84 ALDH1A1 (0.44) SYKAURKBINCENPPGRADORA3
SCHEMBL28035933 0.83 SYK (0.43) SYKAURKBINCENPPGRADORA3
SCHEMBL740172 0.80 ALDH1A1 (0.46) SYKAURKBINCENPPGRADORA3
SCHEMBL28035934 0.79 SYK (0.40) SYKAURKBINCENPPGRADORA3
SCHEMBL16215568 0.77 ABCB1 (0.44) SYKAURKBINCENPPGRADORA3
SCHEMBL10237746 0.76 PGR (0.43) SYKAURKBINCENPPGRADORA3
SCHEMBL10202636 0.75 PGR (0.45) SYKAURKBINCENPPGRADORA3
SCHEMBL754866 0.74
SCHEMBL29424113 0.74
SCHEMBL12124950 0.73 PGR (0.41) SYKAURKBINCENPPGRADORA3

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 6 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
CN-101466712-A Thioxanthine derivatives and their use as inhibitors of mpo ASTRAZENECA AB (SE) 2009-06-24 CN 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 SYK 2512/4885AURKB 4833/4885INCENP 4857/4885

“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.