SCHEMBL21169869

SCHEMBL21169869

Nc1nc2[nH]ncc2c(=S)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.41
RET P07949 1/20 0.41
PI4KA P42356 1/20 0.41
LRRK2 Q5S007 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
MAPK1 P28482 1/20 0.40
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CDK2 P24941 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CHEK1 O14757 2/20 0.34
PDPK1 O15530 1/20 0.34
AURKA O14965 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL481407 0.77 DYRK1A (0.53) XDHADORA2ASMN1; SMN2ALDH1A1HTT
SCHEMBL95394 0.67 XDH (0.52) XDHRETPI4KALRRK2PI4K2B
SCHEMBL1014920 0.65 XDH (0.55) XDHRETPI4KALRRK2PI4K2B
SCHEMBL29487078 0.65 XDH (0.55) XDHRETPI4KALRRK2PI4K2B
SCHEMBL2893663 0.65 XDH (0.44) XDHRETPI4KALRRK2PI4K2B
SCHEMBL29061394 0.64 ALDH1A1 (0.38) XDHSMN1; SMN2ALDH1A1USP2TP53
Tisopurine SCHEMBL7110660 0.64 XDH (0.60) XDHRETPI4KALRRK2PI4K2B
SCHEMBL31706376 0.64 CHEK1 (0.45) XDHRETPI4KALRRK2PI4K2B
Benzene SCHEMBL25427466 0.63 RET (0.52) XDHRETPI4KALRRK2PI4K2B
SCHEMBL7639054 0.63 XDH (0.34) XDHRETPI4KALRRK2PI4K2B

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-20190218255-A1 SCN9A ANTISENSE OLIGONUCLEOTIDES OLIPASS CORPORATION (KR) 2019-07-18 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-20190218255-A1 SCN9A ANTISENSE OLIGONUCLEOTIDES SCN9A, SCN7A, SCN8A XDH 4565/4885RET 4070/4885PI4KA 2939/4885

“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.