SCHEMBL2456205

SCHEMBL2456205

NC(=S)NCc1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
POLB P06746 4/20 0.56
KDM4E B2RXH2 3/20 0.56
RAB9A P51151 2/20 0.56
KLK1 P06870 1/20 0.56
KLK5 Q9Y337 1/20 0.56
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
TSHR P16473 2/20 0.54
MAPK10 P53779 2/20 0.54
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.52
DDAH1 O94760 1/20 0.51
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC1 Q13547 1/20 0.51

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
SCHEMBL2454322 0.85 SMN1; SMN2 (0.67) POLBKDM4ERAB9AGAAHTT
SCHEMBL3915446 0.84 POLB (0.63) PKMPOLBKDM4ERAB9AKLK1
SCHEMBL10310221 0.84 KLK1 (0.63) PKMPOLBKDM4ERAB9AKLK1
Hydrochloric Acid SCHEMBL4493384 0.83 KLK1 (0.61) PKMPOLBKDM4ERAB9AKLK1
SCHEMBL305355 0.79 POLB (0.64) PKMPOLBKDM4ERAB9AALDH1A1
SCHEMBL11330149 0.79 SMN1; SMN2 (0.53) KDM4ERAB9AALDH1A1GAAHTT
SCHEMBL12201106 0.79 SMN1; SMN2 (0.75) PKMPOLBKDM4ERAB9AALDH1A1
SCHEMBL7435327 0.79 DDAH1 (0.56) PKMPOLBKDM4ERAB9AKLK1
SCHEMBL23468380 0.78 PKM (0.67) PKMPOLBKDM4ERAB9AKLK1
SCHEMBL12851299 0.78 HTT (0.74) PKMPOLBKDM4ERAB9AALDH1A1

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 7 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
EP-1709040-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE Sirenade Pharmaceuticals AG (DE) 2006-10-11 EP disclosed
WO-2005068458-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE SIRENADE PHARMACEUTICALS AG (DE) 2005-07-28 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 PKM 1833/4885POLB 535/4885KDM4E 3606/4885

“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.