SCHEMBL1487576

SCHEMBL1487576

O=S(=O)(c1ccccc1)n1cc(-c2ccccc2)c2cc(-c3ccccc3Oc3ccccc3)cnc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.45
CAMKK2 Q96RR4 2/20 0.45
PTGS2 P35354 1/20 0.44
BRD4 O60885 7/20 0.43
PTPN11 Q06124 1/20 0.41
SCN9A Q15858 1/20 0.40
FYN P06241 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ELAVL1 Q15717 1/20 0.38

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
SCHEMBL13745799 0.89 BRD4 (0.41) HTR6CAMKK2PTGS2BRD4PTPN11
SCHEMBL1487602 0.88 BRD4 (0.56) HTR6CAMKK2PTGS2BRD4PTPN11
SCHEMBL15821553 0.88 HTR6 (0.46) HTR6BRD4PTPN11L3MBTL1ELAVL1
SCHEMBL13745811 0.86 SCN9A (0.43) HTR6CAMKK2PTGS2BRD4PTPN11
SCHEMBL14031013 0.86 BRD4 (0.41) HTR6CAMKK2PTGS2BRD4PTPN11
SCHEMBL13746458 0.86 BRD4 (0.41) HTR6CAMKK2PTGS2BRD4PTPN11
SCHEMBL13745801 0.86 CAMKK2 (0.42) HTR6CAMKK2PTGS2BRD4PTPN11
SCHEMBL13746235 0.84 BRD4 (0.62) BRD4PTPN11
SCHEMBL13745805 0.81 BRD4 (0.41) HTR6BRD4PTPN11
SCHEMBL17200871 0.80 KDR (0.51) HTR6BRD4PTPN11ELAVL1

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 6 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-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
EP-1599475-A2 JNK INHIBITORS Eisai Co., Ltd. (JP) 2005-11-30 EP 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 HTR6 2354/4885CAMKK2 89/4885PTGS2 701/4885
US-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 HTR6 2381/4885CAMKK2 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.