SCHEMBL3581696

SCHEMBL3581696

CC(=O)Nc1ccc(C(=O)c2ccc3c(c2)NC(=O)/C3=C/Nc2ccc(C)c(O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.43
GSK3B P49841 3/20 0.41
LRRK2 Q5S007 1/20 0.41
NTRK3 Q16288 1/20 0.41
NOX4 Q9NPH5 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
PDPK1 O15530 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FLT4 P35916 3/20 0.38
KDR P35968 3/20 0.38
FLT3 P36888 3/20 0.38
KIT P10721 2/20 0.38
TGM2 P21980 1/20 0.38
AURKB Q96GD4 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSNK2A2 P19784 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
SCHEMBL3581700 1.00 JAK3 (0.43) JAK3GSK3BLRRK2NTRK3NOX4
SCHEMBL3579462 0.93 NTRK3 (0.47) JAK3GSK3BLRRK2NTRK3NOX4
SCHEMBL3579464 0.93 NTRK3 (0.47) JAK3GSK3BLRRK2NTRK3NOX4
SCHEMBL3578699 0.92 JAK3 (0.52) JAK3GSK3BLRRK2NOX4PDPK1
SCHEMBL3578693 0.92 JAK3 (0.52) JAK3GSK3BLRRK2NOX4PDPK1
SCHEMBL3578279 0.90 TGM2 (0.37) MAPTPDPK1ALDH1A1FLT4KDR
SCHEMBL3578283 0.89 PIM1 (0.42) MAPTFLT4KDRFLT3KIT
SCHEMBL3573605 0.88 NOX4 (0.48) JAK3GSK3BLRRK2NTRK3NOX4
SCHEMBL3573600 0.88 NOX4 (0.48) JAK3GSK3BLRRK2NTRK3NOX4
SCHEMBL3582324 0.86 NTRK3 (0.47) JAK3GSK3BLRRK2NTRK3MAPT

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 10 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
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 83/4885GSK3B 491/4885LRRK2 848/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 JAK3 116/4885GSK3B 478/4885LRRK2 636/4885

“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.