SCHEMBL3581382

SCHEMBL3581382

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 1/20 0.44
CDYL Q9Y232 1/20 0.44
CDY1; CDY1B Q9Y6F8 1/20 0.44
NOX4 Q9NPH5 1/20 0.42
RAF1 P04049 2/20 0.41
TLK2 Q86UE8 4/20 0.40
GSK3B P49841 2/20 0.40
PDPK1 O15530 2/20 0.39
AURKA O14965 1/20 0.39
JAK3 P52333 1/20 0.39
RET P07949 3/20 0.38
HSP90AA1 P07900 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
SCHEMBL3572688 0.93 FLT3 (0.41) CDYL2CDYLCDY1; CDY1BNOX4RET
SCHEMBL3581212 0.92 NOX4 (0.46) CDYL2CDYLCDY1; CDY1BNOX4RAF1
SCHEMBL4758177 0.91 CDYL2 (0.44) CDYL2CDYLCDY1; CDY1BNOX4RAF1
SCHEMBL3581378 0.91 CDYL2 (0.44) CDYL2CDYLCDY1; CDY1BNOX4RAF1
SCHEMBL3572331 0.88 LMNA (0.45) CDYL2CDYLCDY1; CDY1BRAF1TLK2
SCHEMBL3581209 0.88 NOX4 (0.44) CDYL2CDYLCDY1; CDY1BNOX4RAF1
SCHEMBL4758595 0.88 NOX4 (0.54) CDYL2CDYLCDY1; CDY1BNOX4TLK2
SCHEMBL4758589 0.88 NOX4 (0.54) CDYL2CDYLCDY1; CDY1BNOX4TLK2
SCHEMBL3572683 0.85 FLT3 (0.43) CDYL2CDYLCDY1; CDY1BNOX4RET
SCHEMBL3572834 0.84 CHEK1 (0.41) NOX4RET

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 CDYL2 695/4885CDYL 746/4885CDY1; CDY1B 1618/4885

“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.