SCHEMBL4758595

SCHEMBL4758595

COc1ccc(NC=C2C(=O)Nc3ccc(C(=O)c4cccc(NC(C)=O)c4)cc32)cc1O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.54
GSK3B P49841 6/20 0.51
JAK3 P52333 1/20 0.47
PDPK1 O15530 2/20 0.44
CDYL2 Q8N8U2 1/20 0.43
CDYL Q9Y232 1/20 0.43
CDY1; CDY1B Q9Y6F8 1/20 0.43
TLK2 Q86UE8 2/20 0.42
AKT2 P31751 1/20 0.42
LRRK2 Q5S007 1/20 0.41
POLB P06746 1/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL4758589 1.00 NOX4 (0.54) NOX4GSK3BJAK3PDPK1CDYL2
SCHEMBL3575834 0.93 NOX4 (0.47) NOX4GSK3BJAK3PDPK1POLB
SCHEMBL3575839 0.93 NOX4 (0.47) NOX4GSK3BJAK3PDPK1POLB
SCHEMBL3581382 0.88 CDYL2 (0.44) NOX4GSK3BJAK3PDPK1CDYL2
SCHEMBL4758177 0.88 CDYL2 (0.44) NOX4GSK3BJAK3PDPK1CDYL2
SCHEMBL3581378 0.88 CDYL2 (0.44) NOX4GSK3BJAK3PDPK1CDYL2
SCHEMBL3573605 0.86 NOX4 (0.48) NOX4GSK3BJAK3PDPK1LRRK2
SCHEMBL3573600 0.86 NOX4 (0.48) NOX4GSK3BJAK3PDPK1LRRK2
SCHEMBL4705206 0.85 NOX4 (0.53) NOX4GSK3BPDPK1CDYL2CDYL
SCHEMBL5434768 0.85 NOX4 (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 478/4885JAK3 116/4885

“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.