SCHEMBL2454014

SCHEMBL2454014

CC(c1nc2ccccc2[nH]1)n1c(N)c(N)c(=O)[nH]c1=S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
PLAUR Q03405 1/20 0.43
ALDH1A1 P00352 3/20 0.40
IDO1 P14902 1/20 0.40
POLB P06746 1/20 0.40
MLKL Q8NB16 2/20 0.40
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX12 P18054 1/20 0.39
FGFR1 P11362 2/20 0.38
FLT1 P17948 2/20 0.38
CHEK1 O14757 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MASP2 O00187 1/20 0.37

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
SCHEMBL2452419 0.81 KLK7 (0.46) KLK7TAAR1PLAURALDH1A1IDO1
SCHEMBL2284126 0.80 MPO (0.46) KLK7TAAR1PLAURALDH1A1IDO1
SCHEMBL2457444 0.71 PDE10A (0.45) PLAURALDH1A1POLBFGFR1FLT1
SCHEMBL2455398 0.69 EGLN3 (0.49) PLAURALDH1A1POLBMAPTNPC1
SCHEMBL12737571 0.67 TAAR1 (0.68) TAAR1ALDH1A1IDO1POLBMLKL
SCHEMBL524001 0.67 TAAR1 (0.68) TAAR1ALDH1A1IDO1POLBMLKL
SCHEMBL6244544 0.67 POLB (0.61) TAAR1ALDH1A1IDO1POLBMLKL
SCHEMBL8330903 0.67 TAAR1 (0.68) TAAR1ALDH1A1IDO1POLBMLKL
SCHEMBL30665026 0.66 ALDH1A1 (0.66) TAAR1ALDH1A1IDO1POLBMLKL
SCHEMBL85832 0.66 ALDH1A1 (0.66) TAAR1ALDH1A1IDO1POLBMLKL

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
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

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 KLK7 3340/4885TAAR1 428/4885PLAUR 1055/4885

“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.