SCHEMBL1487602

SCHEMBL1487602

O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccccc3Oc3ccccc3)cnc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.56
CAMKK2 Q96RR4 3/20 0.44
PTGS2 P35354 1/20 0.41
FYN P06241 1/20 0.39
IGF1R P08069 3/20 0.38
SCN9A Q15858 1/20 0.35
PTPN11 Q06124 1/20 0.35
HTR6 P50406 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
SCHEMBL13745654 0.90 BRD4 (0.55) BRD4CAMKK2HTR6
SCHEMBL1487576 0.88 HTR6 (0.45) BRD4CAMKK2PTGS2FYNSCN9A
SCHEMBL8325104 0.88 BRD4 (0.60) BRD4HTR6
SCHEMBL13746241 0.87 BRD4 (0.54) BRD4HTR6
SCHEMBL13745801 0.84 CAMKK2 (0.42) BRD4CAMKK2PTGS2FYNIGF1R
SCHEMBL8324896 0.83 BRD4 (0.60) BRD4SCN9APTPN11HTR6
SCHEMBL13745799 0.82 BRD4 (0.41) BRD4CAMKK2PTGS2FYNPTPN11
SCHEMBL1799967 0.82 BRD4 (0.67) BRD4PTPN11HTR6
SCHEMBL14031013 0.82 BRD4 (0.41) BRD4CAMKK2PTGS2FYNSCN9A
SCHEMBL13746458 0.82 BRD4 (0.41) BRD4CAMKK2PTGS2FYNPTPN11

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295433-A2 JNK inhibitors Eisai R&D Management Co., Ltd. (JP) 2011-03-16 EP disclosed
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-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
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-20060270646-A1 Jnk inhibitors EISAI CO., LTD. (JP) 2006-11-30 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 (2 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-20060270646-A1 Jnk inhibitors MAPKAPK2, MAPK1, MAPKAPK3 BRD4 1384/4885CAMKK2 89/4885PTGS2 701/4885
US-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 BRD4 1339/4885CAMKK2 94/4885PTGS2 712/4885

“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.