SCHEMBL4194658

SCHEMBL4194658

CC(C)(C)OC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.59
ROCK1 Q13464 3/20 0.58
P2RX7 Q99572 7/20 0.52
TGM2 P21980 1/20 0.51
CCR2 P41597 2/20 0.50
PRKD3 O94806 2/20 0.50
PRKCG P05129 2/20 0.50
PRKCB P05771 2/20 0.50
CYP3A4 P08684 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
PRKCA P17252 2/20 0.50
PRKACA P17612 2/20 0.50
PRKACG P22612 2/20 0.50
PRKACB P22694 2/20 0.50
PRKCH P24723 2/20 0.50
PRKCI P41743 2/20 0.50
PRKCE Q02156 2/20 0.50
PRKCQ Q04759 2/20 0.50
PRKCZ Q05513 2/20 0.50
PRKCD Q05655 2/20 0.50

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
SCHEMBL4183287 0.92 ROCK2 (0.62) ROCK2ROCK1P2RX7TGM2CCR2
SCHEMBL4194503 0.86 ROCK2 (0.49) ROCK2ROCK1P2RX7TGM2PRKD3
SCHEMBL987296 0.85 ROCK2 (0.59) ROCK2ROCK1P2RX7CCR2PRKD3
SCHEMBL13606910 0.85 ROCK2 (0.51) ROCK2ROCK1P2RX7CCR2PRKD3
SCHEMBL13606912 0.85 ROCK2 (0.51) ROCK2ROCK1P2RX7CCR2PRKD3
SCHEMBL4183290 0.84 ROCK2 (0.53) ROCK2ROCK1P2RX7CCR2PRKD3
SCHEMBL4187543 0.84 ROCK2 (0.53) ROCK2ROCK1P2RX7CCR2PRKD3
SCHEMBL567446 0.83 PRMT3 (0.53) ROCK2ROCK1MEN1KMT2ASMN1; SMN2
SCHEMBL18085945 0.83 ROCK2 (0.67) ROCK2ROCK1P2RX7CCR2PRKD3
SCHEMBL4351197 0.82 ROCK2 (0.51) ROCK2ROCK1P2RX7CCR2PRKD3

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-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 1/4885P2RX7 4324/4885

“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.