SCHEMBL13745801

SCHEMBL13745801

O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3ccccc3Oc3ccccc3)cnc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 3/20 0.42
BRD4 O60885 8/20 0.41
PTGS2 P35354 1/20 0.39
PTPN11 Q06124 1/20 0.37
SCN9A Q15858 2/20 0.36
FYN P06241 1/20 0.35
HTR6 P50406 2/20 0.34
IGF1R P08069 1/20 0.33
PDPK1 O15530 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL1487576 0.86 HTR6 (0.45) CAMKK2BRD4PTGS2PTPN11SCN9A
SCHEMBL13745669 0.85 BRD4 (0.43) BRD4PTPN11HTR6PDPK1
SCHEMBL1487602 0.84 BRD4 (0.56) CAMKK2BRD4PTGS2PTPN11SCN9A
SCHEMBL13745811 0.84 SCN9A (0.43) CAMKK2BRD4PTGS2PTPN11SCN9A
SCHEMBL13745619 0.83 BRD4 (0.42) BRD4PTPN11SCN9AHTR6
SCHEMBL13746140 0.82 BRD4 (0.43) BRD4PTPN11HTR6PDPK1
SCHEMBL13746458 0.82 BRD4 (0.41) CAMKK2BRD4PTGS2PTPN11FYN
SCHEMBL13745799 0.81 BRD4 (0.41) CAMKK2BRD4PTGS2PTPN11FYN
SCHEMBL14031013 0.80 BRD4 (0.41) CAMKK2BRD4PTGS2PTPN11SCN9A
SCHEMBL13746221 0.80 BRD4 (0.44) BRD4PTPN11HTR6PDPK1

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 CAMKK2 94/4885BRD4 1339/4885PTGS2 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.