SCHEMBL3581209

SCHEMBL3581209

COc1ccc(NC=C2C(=O)Nc3ccc(C(=O)c4ccc(C(N)=O)cc4)cc32)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.44
GSK3B P49841 5/20 0.41
PDPK1 O15530 2/20 0.41
RAF1 P04049 2/20 0.41
AURKA O14965 1/20 0.41
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
TLK2 Q86UE8 2/20 0.40
HSP90AA1 P07900 1/20 0.40
RET P07949 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 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
SCHEMBL4758177 0.94 CDYL2 (0.44) NOX4GSK3BPDPK1RAF1AURKA
SCHEMBL3581378 0.94 CDYL2 (0.44) NOX4GSK3BPDPK1RAF1AURKA
SCHEMBL3572826 0.93 FLT4 (0.43) NOX4RETTUBB4ATUBBTUBA3C
SCHEMBL3581212 0.93 NOX4 (0.46) NOX4GSK3BPDPK1RAF1AURKA
SCHEMBL3575665 0.88 NOX4 (0.42) NOX4GSK3BPDPK1RAF1AURKA
SCHEMBL3581382 0.88 CDYL2 (0.44) NOX4GSK3BPDPK1RAF1AURKA
SCHEMBL3581636 0.87 PDPK1 (0.43) GSK3BPDPK1RAF1AURKATLK2
SCHEMBL3572683 0.87 FLT3 (0.43) NOX4CDYL2CDYLCDY1; CDY1BRET
SCHEMBL3572834 0.87 CHEK1 (0.41) NOX4RETTUBB4ATUBBTUBA3C
SCHEMBL4758589 0.85 NOX4 (0.54) NOX4GSK3BPDPK1CDYL2CDYL

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-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed

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-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 NOX4 1380/4885GSK3B 478/4885PDPK1 86/4885

“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.