SCHEMBL1491288

SCHEMBL1491288

CC(=O)c1ccc(S(=O)(=O)N2CCCNCC2)c2ccnc(O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.53
ROCK1 Q13464 5/20 0.53
PRKCE Q02156 3/20 0.53
PRKCD Q05655 3/20 0.53
PRKD1 Q15139 3/20 0.53
PRKX P51817 2/20 0.53
CYP3A4 P08684 5/20 0.48
CYP2D6 P10635 3/20 0.48
MYLK Q15746 3/20 0.48
PRKACA P17612 3/20 0.48
PRKACG P22612 3/20 0.48
PRKACB P22694 3/20 0.48
CCR2 P41597 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CCL2 P13500 2/20 0.48
CLK1 P49759 2/20 0.48
KCNH2 Q12809 2/20 0.48
PKN1 Q16512 2/20 0.48
PKN2 Q16513 2/20 0.48

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
SCHEMBL1491313 0.81 ROCK2 (0.61) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL1491308 0.79 ROCK2 (0.53) ROCK2ROCK1PRKCEPRKCDPRKD1
Hydroxyfasudil SCHEMBL1827528 0.78 ROCK2 (0.75) ROCK2ROCK1PRKCEPRKCDPRKD1
Hydroxyfasudil SCHEMBL29473349 0.78 ROCK2 (0.75) ROCK2ROCK1PRKCEPRKCDPRKD1
Hydroxyfasudil SCHEMBL30309462 0.78 ROCK2 (0.75) ROCK2ROCK1PRKCEPRKCDPRKD1
Hydroxyfasudil SCHEMBL30198128 0.77 ROCK2 (0.73) ROCK2ROCK1PRKCEPRKCDPRKD1
Hydroxyfasudil SCHEMBL1845381 0.77 ROCK2 (0.73) ROCK2ROCK1PRKCEPRKCDPRKD1
Hydroxyfasudil SCHEMBL31717522 0.76 ROCK2 (0.72) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL1759430 0.74 ROCK2 (0.54) ROCK2ROCK1PRKCEPRKCDPRKD1
Hydrochloric Acid SCHEMBL1759338 0.74 ROCK2 (0.53) ROCK2ROCK1PRKCEPRKCDPRKD1

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 7 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
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 3/4885ROCK1 1/4885PRKCE 135/4885

“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.