SCHEMBL1095328

SCHEMBL1095328

CC(C)(C)OC(=O)NC(C(=O)Nc1ccc2c(O)nccc2c1)c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
GRM4 Q14833 8/20 0.40
F9 P00740 2/20 0.37
SREBF2 Q12772 1/20 0.36
JAK2 O60674 1/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
PTPRB P23467 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL1095329 1.00 ROCK2 (0.42) ROCK2ROCK1GRM4F9SREBF2
SCHEMBL14642427 0.88 ROCK2 (0.45) ROCK2ROCK1GRM4F9
Hydrochloric Acid SCHEMBL1096782 0.84 ROCK2 (0.46) ROCK2ROCK1GRM4F9
Hydrochloric Acid SCHEMBL1096786 0.84 ROCK2 (0.46) ROCK2ROCK1GRM4F9
SCHEMBL16084818 0.83 ROCK2 (0.44) ROCK2ROCK1GRM4F9
SCHEMBL16079003 0.81 ROCK2 (0.48) ROCK2ROCK1GRM4F9
SCHEMBL13763800 0.81 GRM4 (0.35) GRM4F9SREBF2JAK2HDAC4
SCHEMBL1105175 0.80 ROCK2 (0.46) ROCK2ROCK1GRM4F9
SCHEMBL8327841 0.79 CTSS (0.41) ROCK2ROCK1CTSSCTSKHDAC4
Verosudil SCHEMBL16036842 0.79 ROCK2 (0.66) ROCK2ROCK1GRM4F9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546239-B1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS INC (US) 2015-04-08 EP disclosed
US-8871757-B2 6-and 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2014-10-28 US disclosed
US-8455514-B2 6-and 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
EP-2546238-A1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2013-01-16 EP disclosed
EP-2546237-A1 7-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2013-01-16 EP disclosed
EP-2546239-A1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2013-01-16 EP disclosed
EP-2252589-B1 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AERIE PHARMACEUTICALS INC (US) 2012-11-21 EP disclosed
US-8153654-B2 2012-04-10 US disclosed
US-20100144713-A1 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2010-06-10 US disclosed
US-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2009-07-23 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 (2 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-20100144713-A1 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME COQ8A, MAP3K7, PRKG2 ROCK2 214/4885ROCK1 304/4885GRM4 2208/4885
US-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same COQ8A, MAP3K7, PRKG2 ROCK2 214/4885ROCK1 304/4885GRM4 2208/4885

“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.