SCHEMBL4189786

SCHEMBL4189786

NCCC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.73
ROCK1 Q13464 9/20 0.68
CCR2 P41597 2/20 0.58
PRKD3 O94806 2/20 0.58
PRKCG P05129 2/20 0.58
PRKCB P05771 2/20 0.58
CYP3A4 P08684 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
PRKCA P17252 2/20 0.58
PRKACA P17612 2/20 0.58
PRKACG P22612 2/20 0.58
PRKACB P22694 2/20 0.58
PRKCH P24723 2/20 0.58
PRKCI P41743 2/20 0.58
PRKCE Q02156 2/20 0.58
PRKCQ Q04759 2/20 0.58
PRKCZ Q05513 2/20 0.58
PRKCD Q05655 2/20 0.58
PRKD1 Q15139 2/20 0.58
MEN1 O00255 1/20 0.58

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
Hydrochloric Acid SCHEMBL4194494 0.99 ROCK2 (0.71) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4197244 0.93 ROCK2 (0.68) ROCK2ROCK1CCR2PRKD3PRKCG
Hydrochloric Acid SCHEMBL4195810 0.92 ROCK2 (0.67) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL30077171 0.92 ROCK2 (0.73) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL22971795 0.92 ROCK2 (0.73) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL9880977 0.87 ROCK2 (0.66) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL13606957 0.86 ROCK2 (0.60) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4191877 0.86 ROCK2 (0.60) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL13606959 0.86 ROCK2 (0.60) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL18085945 0.86 ROCK2 (0.67) ROCK2ROCK1CCR2PRKD3PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306053-A1 Highly selective rho-kinase inhibitor D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2009-12-10 US claimed
EP-1878732-B1 HIGHLY SELECTIVE Rho-KINASE INHIBITOR WESTERN THERAPEUTICS INST INC (JP) 2009-02-25 EP claimed
EP-1878732-A1 HIGHLY SELECTIVE Rho-KINASE INHIBITOR D. Western Therapeutics Institute (JP) 2008-01-16 EP claimed
US-20090306053-A1 Highly selective rho-kinase inhibitor D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2009-12-10 US disclosed
US-20090306053-A1 Highly selective rho-kinase inhibitor D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2009-12-10 US disclosed
US-20090306053-A1 Highly selective rho-kinase inhibitor D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2009-12-10 US disclosed
EP-1878732-B1 HIGHLY SELECTIVE Rho-KINASE INHIBITOR WESTERN THERAPEUTICS INST INC (JP) 2009-02-25 EP disclosed
EP-1878732-B1 HIGHLY SELECTIVE Rho-KINASE INHIBITOR WESTERN THERAPEUTICS INST INC (JP) 2009-02-25 EP disclosed
EP-1878732-A1 HIGHLY SELECTIVE Rho-KINASE INHIBITOR D. Western Therapeutics Institute (JP) 2008-01-16 EP 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 (1 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-20090306053-A1 Highly selective rho-kinase inhibitor ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885CCR2 2940/4885

“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.