SCHEMBL13745697

SCHEMBL13745697

COc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.61
HTR6 P50406 4/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
MAOB P27338 1/20 0.43
KDR P35968 1/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN11 Q06124 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41
AURKA O14965 1/20 0.41
ELAVL1 Q15717 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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) BRD4HTR6PTPN11
SCHEMBL15778909 0.88 BRD4 (0.60) BRD4KDRPTPN11
SCHEMBL1268099 0.88 BRD4 (0.58) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL4337406 0.87 BRD4 (0.59) BRD4MAPTALDH1A1
SCHEMBL17200871 0.87 KDR (0.51) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL13746307 0.85 BRD4 (0.61) BRD4HTR6MAPTPTPN11MEN1
SCHEMBL1487598 0.85 BRD4 (0.61) BRD4HTR6MAPTPTPN11MEN1
SCHEMBL8325104 0.84 BRD4 (0.60) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL1850782 0.83 BRD4 (0.64) BRD4HTR6MAPTPTPN11POLB
SCHEMBL8321863 0.83 BRD4 (0.61) BRD4HTR6RAB9APTPN11POLB

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 2381/4885DRD2 4414/4885

“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.