SCHEMBL4465236

SCHEMBL4465236

COc1cccc(-n2c(N)c(N)c(=O)[nH]c2=S)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
NTRK1 P04629 1/20 0.48
IGF1R P08069 1/20 0.48
FGFR1 P11362 1/20 0.48
NTRK2 Q16620 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PRNP P04156 1/20 0.47
CYP1A2 P05177 1/20 0.47
MGLL Q99685 1/20 0.47
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4457582 0.85 KMT2A (0.55) KDM4ERXFP1ALDH1A1MEN1KMT2A
SCHEMBL4500301 0.83 GAA (0.45) KDM4ERXFP1ALDH1A1MEN1KMT2A
SCHEMBL4454086 0.82 ALDH1A1 (0.49) KDM4EALDH1A1MEN1KMT2ACA12
SCHEMBL4495172 0.81 GAA (0.44) KDM4ERXFP1ALDH1A1MEN1KMT2A
SCHEMBL4488530 0.80 MGLL (0.48) KDM4EALDH1A1CA12CA1CA2
SCHEMBL4489173 0.77 NSD2 (0.42) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL25633515 0.74 KDM4E (0.51) KDM4ERXFP1NTRK1IGF1RFGFR1
SCHEMBL4453819 0.74 ALDH1A1 (0.48) KDM4ERXFP1ALDH1A1MEN1KMT2A
SCHEMBL4471023 0.74 MEN1 (0.44) KDM4EALDH1A1MEN1KMT2ACA12
SCHEMBL4457887 0.73 PDE4B (0.39) GAAXDH

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-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-11-19 US disclosed
EP-2010534-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120097-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-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX KDM4E 3612/4885RXFP1 477/4885NTRK1 4144/4885

“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.