SCHEMBL8325111

SCHEMBL8325111

O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ccccn3)cnc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.44
PTPN11 Q06124 1/20 0.41
HTR6 P50406 3/20 0.40
CDK8 P49336 1/20 0.39
KDR P35968 1/20 0.38
ELANE P08246 1/20 0.37
CYP2C19 P33261 1/20 0.36
PDPK1 O15530 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PIM1 P11309 1/20 0.34
PIK3C3 Q8NEB9 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
SCHEMBL8321386 0.86 BRD4 (0.44) BRD4PTPN11HTR6CDK8ELANE
SCHEMBL1487554 0.83 BRD4 (0.42) BRD4PTPN11HTR6CDK8CYP2C19
SCHEMBL13745805 0.83 BRD4 (0.41) BRD4PTPN11HTR6CDK8PDPK1
SCHEMBL13745808 0.82 BRD4 (0.40) BRD4PTPN11HTR6CDK8ELANE
SCHEMBL1487581 0.82 BRD4 (0.43) BRD4PTPN11HTR6CDK8CYP2C19
SCHEMBL13746023 0.82 BRD4 (0.45) BRD4PTPN11HTR6CDK8PDPK1
SCHEMBL2753498 0.81 PDPK1 (0.49) BRD4PTPN11HTR6CDK8PDPK1
SCHEMBL1487552 0.81 PTPN11 (0.47) BRD4PTPN11HTR6CDK8PDPK1
SCHEMBL1487551 0.81 BRD4 (0.42) BRD4PTPN11HTR6CDK8PDPK1
SCHEMBL1487601 0.80 BRD4 (0.41) BRD4PTPN11HTR6CDK8CYP2C19

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 5 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
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 (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 1339/4885PTPN11 1694/4885HTR6 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.