SCHEMBL8324896

SCHEMBL8324896

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.60
HTR6 P50406 8/20 0.37
PTPN11 Q06124 1/20 0.36
FEN1 P39748 1/20 0.35
GRM5 P41594 1/20 0.35
GRIN2B Q13224 2/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
PDPK1 O15530 1/20 0.34
SCN9A Q15858 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
SCHEMBL13745655 0.91 BRD4 (0.58) BRD4HTR6PTPN11FEN1SCN9A
SCHEMBL8321050 0.89 BRD4 (0.51) BRD4FEN1GRM5GRIN2BSCN9A
SCHEMBL1799967 0.86 BRD4 (0.67) BRD4HTR6PTPN11PDPK1
SCHEMBL13746307 0.85 BRD4 (0.61) BRD4HTR6PTPN11GRIN2B
SCHEMBL8325104 0.84 BRD4 (0.60) BRD4HTR6GRM5DRD2HTR2A
SCHEMBL1887325 0.83 BRD4 (0.58) BRD4HTR6HTR1ADRD2HTR2A
SCHEMBL1487602 0.83 BRD4 (0.56) BRD4HTR6PTPN11SCN9A
SCHEMBL13745669 0.82 BRD4 (0.43) BRD4HTR6PTPN11FEN1PDPK1
SCHEMBL13745662 0.81 BRD4 (0.43) BRD4HTR6PTPN11GRIN2BPDPK1
SCHEMBL8325105 0.81 BRD4 (0.57) BRD4HTR6PTPN11HTR1ADRD2

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 5 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
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 WO 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 1339/4885HTR6 2381/4885PTPN11 1694/4885

“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.