SCHEMBL13745654

SCHEMBL13745654

O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccccc3Oc3ncccn3)cnc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.55
ALOX5AP P20292 4/20 0.39
FEN1 P39748 4/20 0.39
MAOB P27338 1/20 0.36
HTR6 P50406 6/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
MET P08581 1/20 0.35
CYP2C19 P33261 1/20 0.35
CAMKK2 Q96RR4 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
SCHEMBL1487602 0.90 BRD4 (0.56) BRD4HTR6CAMKK2
SCHEMBL8325104 0.87 BRD4 (0.60) BRD4MAOBHTR6DRD2HTR2A
SCHEMBL13745805 0.84 BRD4 (0.41) BRD4ALOX5APFEN1MAOBHTR6
SCHEMBL13746241 0.83 BRD4 (0.54) BRD4FEN1HTR6METCYP2C19
SCHEMBL8324896 0.81 BRD4 (0.60) BRD4FEN1HTR6DRD2HTR2A
SCHEMBL1799967 0.80 BRD4 (0.67) BRD4HTR6METCYP2C19
SCHEMBL13745655 0.79 BRD4 (0.58) BRD4FEN1HTR6
SCHEMBL1487576 0.78 HTR6 (0.45) BRD4HTR6CAMKK2
SCHEMBL8325105 0.78 BRD4 (0.57) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL13746307 0.78 BRD4 (0.61) BRD4HTR6

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 1339/4885ALOX5AP 2122/4885FEN1 2804/4885

“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.