SCHEMBL3579643

SCHEMBL3579643

COc1ccc(NC=C2C(=O)Nc3ccc(Cc4cccc(C(N)=O)c4)cc32)cc1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
CDYL2 Q8N8U2 1/20 0.42
CDYL Q9Y232 1/20 0.42
CDY1; CDY1B Q9Y6F8 1/20 0.42
AKT2 P31751 4/20 0.42
NOX4 Q9NPH5 1/20 0.41
TLK2 Q86UE8 3/20 0.40
PDE4D Q08499 1/20 0.39
PDPK1 O15530 2/20 0.39
GSK3B P49841 2/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
PAK1 Q13153 1/20 0.37
BRD4 O60885 2/20 0.37
RET P07949 1/20 0.36

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
SCHEMBL3575665 0.92 NOX4 (0.42) PARP1CDYL2CDYLCDY1; CDY1BNOX4
SCHEMBL3579184 0.89 AKT2 (0.44) PARP1CDYL2CDYLCDY1; CDY1BAKT2
SCHEMBL3579647 0.89 NOX4 (0.41) PARP1CDYL2CDYLCDY1; CDY1BAKT2
SCHEMBL3581378 0.87 CDYL2 (0.44) CDYL2CDYLCDY1; CDY1BAKT2NOX4
SCHEMBL4758177 0.87 CDYL2 (0.44) CDYL2CDYLCDY1; CDY1BAKT2NOX4
SCHEMBL4705206 0.86 NOX4 (0.53) PARP1CDYL2CDYLCDY1; CDY1BAKT2
SCHEMBL5434768 0.86 NOX4 (0.53) PARP1CDYL2CDYLCDY1; CDY1BAKT2
SCHEMBL3575667 0.86 NOX4 (0.44) NOX4TLK2GSK3BPAK1BRD4
SCHEMBL3582425 0.85 AKT2 (0.44) PARP1CDYL2CDYLCDY1; CDY1BAKT2
SCHEMBL3572683 0.82 FLT3 (0.43) CDYL2CDYLCDY1; CDY1BAKT2NOX4

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 PARP1 2019/4885CDYL2 695/4885CDYL 746/4885

“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.