SCHEMBL10162352

SCHEMBL10162352

CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)F)c3)nc3ccnn23)s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.40
ROCK1 Q13464 3/20 0.40
CLK1 P49759 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
KCNB1 Q14721 1/20 0.39
KCNN3 Q9UGI6 1/20 0.39
PDE10A Q9Y233 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
GLS O94925 3/20 0.36
KLKB1 P03952 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
RIPK1 Q13546 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 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
SCHEMBL10162366 0.91 KCNN3 (0.47) ROCK2ROCK1KCNN3GLSRIPK1
SCHEMBL10162395 0.88 ADAMTS4 (0.41) ROCK2ROCK1CLK1KCNA5KCNH2
SCHEMBL10162358 0.87 EPHX2 (0.36) PDE10ARIPK1MAPK1LMNA
SCHEMBL10162468 0.87 ROCK2 (0.44) ROCK2ROCK1CLK1KCNA5KCNH2
SCHEMBL10162431 0.85 MMP13 (0.42) ROCK2ROCK1CLK1KCNA5KCNH2
SCHEMBL10162333 0.83 PDPK1 (0.41) MAPK1
SCHEMBL10162361 0.83 AKT3 (0.43) ADORA2AADORA1MAPK1LMNA
SCHEMBL10162336 0.82 MMP13 (0.49) PDE10AMAPK1
SCHEMBL10162345 0.81 MAPK1 (0.43) MAPK1
SCHEMBL10162346 0.80 MMP13 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 ROCK2 1967/4885ROCK1 2537/4885CLK1 2045/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ROCK2 1967/4885ROCK1 2537/4885CLK1 2045/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ROCK2 1967/4885ROCK1 2537/4885CLK1 2045/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ROCK2 1967/4885ROCK1 2537/4885CLK1 2045/4885

“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.