SCHEMBL4457582

SCHEMBL4457582

COc1ccc(-n2c(N)c(N)c(=O)[nH]c2=S)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.48
ATM Q13315 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 2/20 0.46
PPARG P37231 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA1 P00915 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL4465236 0.85 KDM4E (0.50) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4454976 0.83 KMT2A (0.50) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL15331728 0.83 KMT2A (0.50) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4504602 0.80 MAPT (0.51) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4495436 0.77 ATM (0.55) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL1958344 0.76 MEN1 (0.55) KMT2AALDH1A1MAPTMEN1RXFP1
SCHEMBL4465659 0.76 KMT2A (0.43) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4453819 0.74 ALDH1A1 (0.48) KMT2AALDH1A1MAPTHPGDMEN1
SCHEMBL4473827 0.74 KDM4E (0.51) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8830646 0.73 GSK3A (0.49) KMT2AALDH1A1MAPTATMMEN1

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 KMT2A 2979/4885ALDH1A1 296/4885MAPT 4050/4885

“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.