SCHEMBL13746458

SCHEMBL13746458

O=S(=O)(c1ccccc1)n1cc(-c2cnco2)c2cc(-c3ccccc3Oc3ccccc3)cnc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.41
CAMKK2 Q96RR4 2/20 0.38
PTPN11 Q06124 1/20 0.37
PTGS2 P35354 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
FYN P06241 1/20 0.35
HTR6 P50406 1/20 0.34
IMPDH2 P12268 3/20 0.34
RHEB Q15382 1/20 0.34
IMPDH1 P20839 1/20 0.34
PDPK1 O15530 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) BRD4CAMKK2PTPN11PTGS2FYN
SCHEMBL13746225 0.85 BRD4 (0.43) BRD4PTPN11POLBKMT2AHTR6
SCHEMBL14030973 0.85 FYN (0.36) BRD4CAMKK2PTGS2FYNIMPDH2
SCHEMBL14031013 0.84 BRD4 (0.41) BRD4CAMKK2PTPN11PTGS2FYN
SCHEMBL13745801 0.82 CAMKK2 (0.42) BRD4CAMKK2PTPN11PTGS2FYN
SCHEMBL1487602 0.82 BRD4 (0.56) BRD4CAMKK2PTPN11PTGS2FYN
SCHEMBL13745799 0.81 BRD4 (0.41) BRD4CAMKK2PTPN11PTGS2FYN
SCHEMBL13745811 0.80 SCN9A (0.43) BRD4CAMKK2PTPN11PTGS2FYN
SCHEMBL13746235 0.80 BRD4 (0.62) BRD4PTPN11
SCHEMBL13745538 0.80 BRD4 (0.40) BRD4PTPN11POLBKMT2AHTR6

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 1339/4885CAMKK2 94/4885PTPN11 1694/4885

“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.