SCHEMBL3582735

SCHEMBL3582735

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.50
LRRK2 Q5S007 1/20 0.49
NTRK3 Q16288 1/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GSK3B P49841 3/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
TGM2 P21980 3/20 0.45
PDPK1 O15530 1/20 0.45
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
BACE1 P56817 1/20 0.42
KIT P10721 2/20 0.42
FLT4 P35916 2/20 0.42
FLT3 P36888 2/20 0.42
KDR P35968 1/20 0.42
NOX4 Q9NPH5 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
SCHEMBL3582738 1.00 JAK3 (0.50) JAK3LRRK2NTRK3ALDH1A1L3MBTL1
SCHEMBL3576565 0.90 JAK3 (0.60) JAK3LRRK2ALDH1A1L3MBTL1GSK3B
SCHEMBL3576563 0.90 JAK3 (0.60) JAK3LRRK2ALDH1A1L3MBTL1GSK3B
SCHEMBL3577289 0.90 NTRK3 (0.53) JAK3LRRK2NTRK3ALDH1A1L3MBTL1
SCHEMBL3577292 0.90 NTRK3 (0.53) JAK3LRRK2NTRK3ALDH1A1L3MBTL1
SCHEMBL3580971 0.82 PIM1 (0.46) ALDH1A1MAPTTGM2PDPK1LMNA
SCHEMBL3581696 0.81 JAK3 (0.43) JAK3LRRK2NTRK3ALDH1A1L3MBTL1
SCHEMBL3582324 0.81 NTRK3 (0.47) JAK3LRRK2NTRK3ALDH1A1L3MBTL1
SCHEMBL3581700 0.81 JAK3 (0.43) JAK3LRRK2NTRK3ALDH1A1L3MBTL1
SCHEMBL3582327 0.81 NTRK3 (0.47) JAK3LRRK2NTRK3ALDH1A1L3MBTL1

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 848/4885NTRK3 444/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 JAK3 116/4885LRRK2 636/4885NTRK3 418/4885

“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.