SCHEMBL3576563

SCHEMBL3576563

CC(=O)Nc1ccc(C(=O)c2ccc3c(c2)/C(=C/O)C(=O)N3)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.60
LRRK2 Q5S007 1/20 0.58
GSK3B P49841 3/20 0.55
PDPK1 O15530 2/20 0.53
NOX4 Q9NPH5 1/20 0.48
TLK2 Q86UE8 7/20 0.48
IDO1 P14902 2/20 0.48
TDO2 P48775 2/20 0.48
TGM2 P21980 1/20 0.48
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAF1 P04049 1/20 0.47
AKT2 P31751 1/20 0.44

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
SCHEMBL3576565 1.00 JAK3 (0.60) JAK3LRRK2GSK3BPDPK1NOX4
SCHEMBL3582735 0.90 JAK3 (0.50) JAK3LRRK2GSK3BPDPK1NOX4
SCHEMBL3582738 0.90 JAK3 (0.50) JAK3LRRK2GSK3BPDPK1NOX4
SCHEMBL3578101 0.90 JAK3 (0.55) JAK3LRRK2GSK3BPDPK1NOX4
SCHEMBL3578104 0.90 JAK3 (0.55) JAK3LRRK2GSK3BPDPK1NOX4
SCHEMBL3578699 0.81 JAK3 (0.52) JAK3LRRK2GSK3BPDPK1NOX4
SCHEMBL3578693 0.81 JAK3 (0.52) JAK3LRRK2GSK3BPDPK1NOX4
SCHEMBL3571572 0.81 PDPK1 (0.55) JAK3PDPK1TLK2IDO1TDO2
SCHEMBL3571577 0.81 TLK2 (0.53) JAK3PDPK1TLK2IDO1TDO2
SCHEMBL12044119 0.80 JAK3 (0.51) JAK3LRRK2GSK3BPDPK1NOX4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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 (2 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 JAK3 83/4885LRRK2 848/4885GSK3B 491/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 JAK3 116/4885LRRK2 636/4885GSK3B 478/4885

“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.