SCHEMBL13745669

SCHEMBL13745669

O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3ccccc3F)cnc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.43
PTPN11 Q06124 1/20 0.39
PIM1 P11309 1/20 0.38
CD38 P28907 2/20 0.38
HTR6 P50406 4/20 0.36
PDPK1 O15530 1/20 0.35
FEN1 P39748 4/20 0.34
ALOX5AP P20292 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL13745619 0.92 BRD4 (0.42) BRD4PTPN11CD38HTR6FEN1
SCHEMBL13746140 0.85 BRD4 (0.43) BRD4PTPN11HTR6PDPK1CA12
SCHEMBL13745801 0.85 CAMKK2 (0.42) BRD4PTPN11HTR6PDPK1
SCHEMBL13746221 0.83 BRD4 (0.44) BRD4PTPN11CD38HTR6PDPK1
SCHEMBL13745663 0.82 BRD4 (0.41) BRD4PTPN11HTR6PDPK1FEN1
SCHEMBL8324896 0.82 BRD4 (0.60) BRD4PTPN11HTR6PDPK1FEN1
SCHEMBL13746225 0.80 BRD4 (0.43) BRD4PTPN11HTR6PDPK1FEN1
SCHEMBL13745662 0.79 BRD4 (0.43) BRD4PTPN11HTR6PDPK1CA12
SCHEMBL8182406 0.77 BRD4 (0.38) BRD4PTPN11HTR6
SCHEMBL13745655 0.74 BRD4 (0.58) BRD4PTPN11HTR6FEN1

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 1694/4885PIM1 475/4885

“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.