SCHEMBL13745805

SCHEMBL13745805

O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ccccc3Oc3ncccn3)cnc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.41
PTPN11 Q06124 1/20 0.38
HTR6 P50406 5/20 0.36
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
CDK8 P49336 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
PDPK1 O15530 1/20 0.33
MAOB P27338 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
SCHEMBL13745808 0.85 BRD4 (0.40) BRD4PTPN11HTR6FEN1CDK8
SCHEMBL13745654 0.84 BRD4 (0.55) BRD4HTR6ALOX5APFEN1DRD2
SCHEMBL8321386 0.83 BRD4 (0.44) BRD4PTPN11HTR6CDK8DRD2
SCHEMBL8325111 0.83 BRD4 (0.44) BRD4PTPN11HTR6CDK8PDPK1
SCHEMBL1487576 0.81 HTR6 (0.45) BRD4PTPN11HTR6
SCHEMBL1487554 0.78 BRD4 (0.42) BRD4PTPN11HTR6CDK8DRD2
SCHEMBL14031013 0.78 BRD4 (0.41) BRD4PTPN11HTR6
SCHEMBL15821553 0.78 HTR6 (0.46) BRD4PTPN11HTR6DRD2HTR2A
SCHEMBL1487581 0.77 BRD4 (0.43) BRD4PTPN11HTR6CDK8PDPK1
SCHEMBL13746023 0.77 BRD4 (0.45) BRD4PTPN11HTR6CDK8DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 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-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 BRD4 1339/4885PTPN11 1694/4885HTR6 2381/4885

“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.