SCHEMBL4501562

SCHEMBL4501562

Nc1c(N)n(-c2cnc3ccccc3c2)c(=S)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.40
TOP2B Q02880 3/20 0.40
DHFR P00374 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTR3A P46098 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HDAC1 Q13547 1/20 0.38
AKR1C3 P42330 1/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.35
MGAM O43451 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BMPR1B O00238 1/20 0.34
PIK3C2G O75747 1/20 0.34
CDKL5 O76039 1/20 0.34

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
SCHEMBL4461891 0.86 HDAC1 (0.38) TOP2ATOP2BDHFRCYP11B1CYP11B2
SCHEMBL4463068 0.81 ALDH1A1 (0.50) TOP2ATOP2BDHFRCYP11B1CYP11B2
SCHEMBL4566331 0.80 TOP2A (0.40) TOP2ATOP2BDHFRCYP11B1CYP11B2
SCHEMBL4316162 0.80 MPO (0.42) TOP2ATOP2BCYP11B1CYP11B2HTR3A
SCHEMBL4570057 0.71 NPSR1 (0.59) HDAC1POLBMAPTGAAHPGD
SCHEMBL4495172 0.69 GAA (0.44) POLBMAPTGAAHPGDKDM4E
SCHEMBL4502590 0.69 MAPT (0.39) MAPTGAAHPGDPIM1CLK2
SCHEMBL30615630 0.69 AURKA (0.56) TOP2ATOP2BMAPT
SCHEMBL4504602 0.68 MAPT (0.51) POLBMAPTGAAKDM4EALDH1A1
SCHEMBL4465236 0.68 KDM4E (0.50) MAPTGAAHPGDCYP1A2KDM4E

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 1 patent. 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

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 TOP2A 842/4885TOP2B 990/4885DHFR 1419/4885

“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.