SCHEMBL13745808

SCHEMBL13745808

O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3cccnc3Oc3ccccc3)cnc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.40
FEN1 P39748 2/20 0.38
HTR6 P50406 3/20 0.38
PTPN11 Q06124 1/20 0.38
RORC P51449 1/20 0.36
ELANE P08246 1/20 0.36
CDK8 P49336 1/20 0.35
PDPK1 O15530 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
SCHEMBL13745805 0.85 BRD4 (0.41) BRD4FEN1HTR6PTPN11CDK8
SCHEMBL13746241 0.84 BRD4 (0.54) BRD4FEN1HTR6RORCELANE
SCHEMBL8321386 0.82 BRD4 (0.44) BRD4HTR6PTPN11ELANECDK8
SCHEMBL8325111 0.82 BRD4 (0.44) BRD4HTR6PTPN11ELANECDK8
SCHEMBL1487581 0.79 BRD4 (0.43) BRD4HTR6PTPN11CDK8PDPK1
SCHEMBL1487576 0.78 HTR6 (0.45) BRD4HTR6PTPN11
SCHEMBL1487554 0.78 BRD4 (0.42) BRD4HTR6PTPN11CDK8
SCHEMBL13746023 0.77 BRD4 (0.45) BRD4HTR6PTPN11CDK8PDPK1
SCHEMBL1487552 0.76 PTPN11 (0.47) BRD4HTR6PTPN11CDK8PDPK1
SCHEMBL2753498 0.76 PDPK1 (0.49) BRD4HTR6PTPN11CDK8PDPK1

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 2 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

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 1339/4885FEN1 2804/4885HTR6 2381/4885

“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.