SCHEMBL1447574

SCHEMBL1447574

CN(C)C(=O)Oc1cccc(NC(=O)C2(C)CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 14/20 0.55
LIMK1 P53667 9/20 0.45
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
GAA P10253 1/20 0.44
EPHX2 P34913 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL1448863 0.89 LIMK2 (0.51) LIMK2LIMK1ROCK2ROCK1PRKACA
SCHEMBL1446824 0.87 LIMK2 (0.58) LIMK2LIMK1ROCK2ROCK1PRKACA
SCHEMBL4297270 0.87 LIMK2 (0.44) LIMK2LIMK1ROCK2ROCK1PRKACA
SCHEMBL1446740 0.87 LIMK2 (0.59) LIMK2LIMK1ROCK2ROCK1PRKACA
SCHEMBL1446658 0.86 LIMK2 (0.46) LIMK2LIMK1ROCK2ROCK1PRKACA
SCHEMBL1446772 0.85 LIMK2 (0.48) LIMK2LIMK1ROCK2ROCK1PRKACA
SCHEMBL4303404 0.84 TACR1 (0.48) LIMK2LIMK1ROCK2ROCK1PRKACA
SCHEMBL31058254 0.84 PARP14 (0.49) LIMK2EPHX2MEN1RAB9AKMT2A
SCHEMBL4289997 0.84 LIMK2 (0.42) LIMK2LIMK1ROCK2ROCK1PRKACA
SCHEMBL4290419 0.82 S1PR2 (0.52) EPHX2

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
EP-2297153-B1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2015-05-27 EP disclosed
US-8450332-B2 LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20120329818-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-12-27 US disclosed
US-8193202-B2 LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
EP-2297153-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009131940-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2009-10-22 US 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-20120329818-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 LIMK2 1/4885LIMK1 2/4885ROCK2 104/4885
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 LIMK2 1/4885LIMK1 2/4885ROCK2 104/4885

“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.