SCHEMBL3578699

SCHEMBL3578699

CC(=O)Nc1ccc(C(=O)c2ccc3c(c2)C(=CNc2ccc(C)c(O)c2)C(=O)N3)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.52
GSK3B P49841 6/20 0.48
LRRK2 Q5S007 1/20 0.48
NOX4 Q9NPH5 1/20 0.46
PDPK1 O15530 1/20 0.45
RAF1 P04049 1/20 0.42
TLK2 Q86UE8 5/20 0.41
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
TGM2 P21980 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39

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
SCHEMBL3578693 1.00 JAK3 (0.52) JAK3GSK3BLRRK2NOX4PDPK1
SCHEMBL3581700 0.92 JAK3 (0.43) JAK3GSK3BLRRK2NOX4PDPK1
SCHEMBL3581696 0.92 JAK3 (0.43) JAK3GSK3BLRRK2NOX4PDPK1
SCHEMBL3581636 0.89 PDPK1 (0.43) JAK3GSK3BLRRK2PDPK1RAF1
SCHEMBL3581640 0.89 RAF1 (0.42) JAK3GSK3BLRRK2NOX4RAF1
SCHEMBL3572328 0.85 PDPK1 (0.46) JAK3GSK3BPDPK1RAF1TLK2
SCHEMBL4757664 0.85 PDPK1 (0.46) JAK3GSK3BPDPK1RAF1TLK2
SCHEMBL3579464 0.85 NTRK3 (0.47) JAK3GSK3BLRRK2NOX4PDPK1
SCHEMBL3579462 0.85 NTRK3 (0.47) JAK3GSK3BLRRK2NOX4PDPK1
SCHEMBL3572331 0.85 LMNA (0.45) JAK3GSK3BPDPK1RAF1TLK2

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.