SCHEMBL2455398

SCHEMBL2455398

Nc1c(N)n(CCc2nc3ccccc3[nH]2)c(=S)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGLN3 Q9H6Z9 2/20 0.49
▸ PDE10A Q9Y233 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CHRNA7 P36544 1/20 0.45
▸ NR2F2 P24468 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PLAUR Q03405 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
SCHEMBL2457444 0.88 PDE10A (0.45) PDE10AALDH1A1POLBCHRM1MAPT
SCHEMBL2454164 0.81 MTNR1A (0.62) EGLN3PDE10AALDH1A1POLBCYP2D6
SCHEMBL2286845 0.80 MPO (0.50) EGLN3PDE10AALDH1A1POLBCYP2D6
SCHEMBL1960064 0.77 MTNR1A (0.62) ALDH1A1POLBNPC1RAB9AKDM4E
SCHEMBL29549275 0.71 EGLN3 (0.65) EGLN3PDE10AALDH1A1POLBCHRNA7
SCHEMBL2461805 0.71 MTNR1A (0.51) PDE10AALDH1A1POLBMAPTPLAUR
SCHEMBL2282109 0.70 MPO (0.58) PDE10A
SCHEMBL230157 0.69 POLB (0.84) PDE10APOLBCHRM1NPC1RAB9A
SCHEMBL2454014 0.69 KLK7 (0.46) ALDH1A1POLBNPC1RAB9AKDM4E
SCHEMBL5864478 0.69 ALDH1A1 (0.64) EGLN3PDE10AALDH1A1POLBCYP2D6

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 EGLN3 1401/4885PDE10A 1133/4885ALDH1A1 309/4885

“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.

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