SCHEMBL10162474

SCHEMBL10162474

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.52
ROCK1 Q13464 2/20 0.52
KCNN3 Q9UGI6 1/20 0.50
MAPK14 Q16539 1/20 0.49
GLS O94925 7/20 0.47
RIPK1 Q13546 5/20 0.47
NAMPT P43490 2/20 0.44

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
SCHEMBL10162432 0.91 RIPK1 (0.48) ROCK2ROCK1KCNN3MAPK14GLS
SCHEMBL10162468 0.91 ROCK2 (0.44) ROCK2ROCK1KCNN3
SCHEMBL10162477 0.87 MEN1 (0.50) KCNN3MAPK14NAMPT
SCHEMBL10162366 0.87 KCNN3 (0.47) ROCK2ROCK1KCNN3MAPK14GLS
SCHEMBL10161535 0.84 ADAMTS4 (0.46) ROCK2ROCK1KCNN3MAPK14GLS
SCHEMBL13161093 0.84 ROCK2 (0.43) ROCK2ROCK1KCNN3MAPK14GLS
SCHEMBL10161742 0.84 ROCK2 (0.43) ROCK2ROCK1KCNN3MAPK14GLS
SCHEMBL10162187 0.83 KCNN3 (0.46) ROCK2ROCK1KCNN3MAPK14GLS
SCHEMBL10162483 0.83 POLB (0.47) ROCK2
SCHEMBL8225572 0.82 KCNN3 (0.46) ROCK2ROCK1KCNN3MAPK14GLS

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.