SCHEMBL1491292

SCHEMBL1491292

Cc1ccc(S(=O)(=O)N2CCCNCC2)c2ccncc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.66
CYP3A4 P08684 6/20 0.66
ROCK1 Q13464 5/20 0.66
PRKCE Q02156 4/20 0.66
PRKCD Q05655 4/20 0.66
PRKD1 Q15139 4/20 0.66
CYP2D6 P10635 4/20 0.66
PRKACA P17612 3/20 0.66
PRKACG P22612 3/20 0.66
PRKACB P22694 3/20 0.66
MYLK Q15746 3/20 0.66
PRKD3 O94806 3/20 0.66
PRKCG P05129 3/20 0.66
PRKCB P05771 3/20 0.66
PRKCA P17252 3/20 0.66
PRKCH P24723 3/20 0.66
PRKCI P41743 3/20 0.66
PRKCQ Q04759 3/20 0.66
PRKCZ Q05513 3/20 0.66
CCR2 P41597 2/20 0.66

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
SCHEMBL1761118 0.85 ROCK2 (0.62) ROCK2CYP3A4ROCK1PRKCEPRKCD
SCHEMBL1491313 0.84 ROCK2 (0.61) ROCK2CYP3A4ROCK1PRKCEPRKCD
SCHEMBL16508190 0.82 ROCK2 (0.58) ROCK2CYP3A4ROCK1PRKCEPRKCD
Fasudil SCHEMBL29362990 0.80 ROCK2 (1.00) ROCK2CYP3A4ROCK1PRKCEPRKCD
Fasudil SCHEMBL4674 0.80 ROCK2 (1.00) ROCK2CYP3A4ROCK1PRKCEPRKCD
Fasudil SCHEMBL6269832 0.80 ROCK2 (1.00) ROCK2CYP3A4ROCK1PRKCEPRKCD
Fasudil SCHEMBL29381868 0.80 ROCK2 (1.00) ROCK2CYP3A4ROCK1PRKCEPRKCD
SCHEMBL1491316 0.79 ROCK2 (0.58) ROCK2CYP3A4ROCK1PRKCEPRKCD
SCHEMBL16613226 0.79 KMT2A (0.74) ROCK2CYP3A4ROCK1PRKCEPRKCD
Fasudil SCHEMBL678615 0.79 ROCK2 (0.98) ROCK2CYP3A4ROCK1PRKCEPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2296472-A1 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY Amnestix, Inc. (US) 2011-03-23 EP claimed
WO-2009151845-A9 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY AMNESTIX, INC. (US) 2010-01-28 WO claimed
WO-2009151845-A1 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY AMNESTIX, INC. (US) 2009-12-17 WO claimed
US-20110294789-A1 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY AMNESTIX, INC. 2011-12-01 US disclosed
US-20110294789-A1 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY AMNESTIX, INC. 2011-12-01 US disclosed
EP-2296472-A1 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY Amnestix, Inc. (US) 2011-03-23 EP disclosed
WO-2009151845-A9 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY AMNESTIX, INC. (US) 2010-01-28 WO disclosed
WO-2009151845-A1 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY AMNESTIX, INC. (US) 2009-12-17 WO 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-20110294789-A1 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY ROCK1, IRAK1, ROCK2 ROCK2 3/4885CYP3A4 4359/4885ROCK1 1/4885

“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.