SCHEMBL13745663

SCHEMBL13745663

O=S(=O)(c1ccccc1)n1cc(-c2nccs2)c2cc(-c3ccccc3F)cnc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.41
PTPN11 Q06124 1/20 0.37
HTR6 P50406 5/20 0.36
FEN1 P39748 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
PDPK1 O15530 2/20 0.35
KAT6A Q92794 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
SCN9A Q15858 2/20 0.33
SCN5A Q14524 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
SCHEMBL1798945 0.89 BRD4 (0.44) BRD4PTPN11HTR6HTR1ADRD2
SCHEMBL8321770 0.85 BRD4 (0.41) BRD4PTPN11HTR6HTR1ADRD2
SCHEMBL13745811 0.85 SCN9A (0.43) BRD4PTPN11HTR6DRD2HTR2A
SCHEMBL1802459 0.83 HTR6 (0.40) BRD4PTPN11HTR6HTR1ADRD2
SCHEMBL13745669 0.82 BRD4 (0.43) BRD4PTPN11HTR6FEN1PDPK1
SCHEMBL13745552 0.82 PTPN11 (0.42) BRD4PTPN11HTR6PDPK1
SCHEMBL1800463 0.81 FFAR2 (0.43) BRD4PTPN11HTR6PDPK1
SCHEMBL8324896 0.80 BRD4 (0.60) BRD4PTPN11HTR6FEN1HTR1A
SCHEMBL13745662 0.79 BRD4 (0.43) BRD4PTPN11HTR6PDPK1
SCHEMBL29606686 0.79 HTR6 (0.51) HTR6HTR1ADRD2HTR2AHTR7

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 4 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
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 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.