SCHEMBL10162468

SCHEMBL10162468

CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)F)c3)nc3ccnn23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.44
ROCK1 Q13464 6/20 0.43
KCNN3 Q9UGI6 1/20 0.41
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
KCNB1 Q14721 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
MMP13 P45452 3/20 0.40
CLK1 P49759 1/20 0.40
PRKACA P17612 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PRKX P51817 1/20 0.39
PRKCQ Q04759 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
KLKB1 P03952 1/20 0.39
RET P07949 1/20 0.39
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL10162431 0.91 MMP13 (0.42) ROCK2ROCK1KCNN3KCNA5KCNH2
SCHEMBL10162474 0.91 ROCK2 (0.52) ROCK2ROCK1KCNN3
SCHEMBL10162352 0.87 ROCK2 (0.40) ROCK2ROCK1KCNN3KCNA5KCNH2
SCHEMBL10162477 0.84 MEN1 (0.50) KCNN3CYP3A4CYP2D6MMP13
SCHEMBL10161524 0.84 MMP13 (0.47) ROCK2ROCK1KCNA5KCNH2KCNB1
SCHEMBL13161095 0.84 ROCK2 (0.42) ROCK2ROCK1KCNN3KCNA5KCNH2
SCHEMBL10161738 0.84 ROCK2 (0.42) ROCK2ROCK1KCNN3KCNA5KCNH2
SCHEMBL10162483 0.83 POLB (0.47) ROCK2MMP13ADORA2AADORA1
SCHEMBL10162190 0.83 KCNA5 (0.39) ROCK2ROCK1KCNN3KCNA5KCNH2
SCHEMBL10162460 0.83 MMP13 (0.45) MMP13

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 2537/4885KCNN3 2625/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ROCK2 1967/4885ROCK1 2537/4885KCNN3 2625/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ROCK2 1967/4885ROCK1 2537/4885KCNN3 2625/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ROCK2 1967/4885ROCK1 2537/4885KCNN3 2625/4885

“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.