SCHEMBL13745848

SCHEMBL13745848

N#Cc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.58
HTR6 P50406 1/20 0.39
PTPN11 Q06124 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
CCR6 P51684 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
PAX8 Q06710 1/20 0.37
HSD11B1 P28845 1/20 0.37
KAT6A Q92794 1/20 0.36
PIK3CA P42336 1/20 0.36
PARP1 P09874 1/20 0.35
MAP4K4 O95819 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL1799967 0.89 BRD4 (0.67) BRD4HTR6PTPN11PIK3CAPIK3CG
SCHEMBL1044745 0.88 BRD4 (0.55) BRD4HTR6CCR6
SCHEMBL13746307 0.85 BRD4 (0.61) BRD4HTR6PTPN11
SCHEMBL13745697 0.83 BRD4 (0.61) BRD4HTR6PTPN11
SCHEMBL1487598 0.83 BRD4 (0.61) BRD4HTR6PTPN11
SCHEMBL1850782 0.81 BRD4 (0.64) BRD4HTR6PTPN11
SCHEMBL4159580 0.81 PTPN11 (0.56) BRD4HTR6PTPN11SLC22A12CCR6
SCHEMBL8321863 0.80 BRD4 (0.61) BRD4HTR6PTPN11PTGES2
SCHEMBL15778909 0.80 BRD4 (0.60) BRD4PTPN11PIK3CAPTGES2
SCHEMBL13746506 0.79 BRD4 (0.57) BRD4PIK3CAPIK3CG

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 1339/4885HTR6 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.