SCHEMBL1105175

SCHEMBL1105175

N[C@@H](C(=O)Nc1ccc2c(O)nccc2c1)c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 2/20 0.46
F9 P00740 4/20 0.38
BAZ1A Q9NRL2 1/20 0.38
GRM4 Q14833 10/20 0.37
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35
CHEK2 O96017 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP3A5 P20815 1/20 0.35
CYP2A7 P20853 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
SCHEMBL16079003 0.88 ROCK2 (0.48) ROCK2ROCK1F9GRM4CYP2D6
Verosudil SCHEMBL31296115 0.85 ROCK2 (0.66) ROCK2ROCK1F9GRM4
Verosudil SCHEMBL30518358 0.85 ROCK2 (0.66) ROCK2ROCK1F9GRM4
Hydrochloric Acid SCHEMBL1096782 0.85 ROCK2 (0.46) ROCK2ROCK1F9GRM4F7
Verosudil SCHEMBL1097102 0.85 ROCK2 (0.66) ROCK2ROCK1F9GRM4
Verosudil SCHEMBL30518344 0.85 ROCK2 (0.66) ROCK2ROCK1F9GRM4
Hydrochloric Acid SCHEMBL1096786 0.85 ROCK2 (0.46) ROCK2ROCK1F9GRM4F7
Verosudil SCHEMBL16036842 0.85 ROCK2 (0.66) ROCK2ROCK1F9GRM4
Verosudil SCHEMBL1097105 0.85 ROCK2 (0.66) ROCK2ROCK1F9GRM4
SCHEMBL14642427 0.84 ROCK2 (0.45) ROCK2ROCK1F9GRM4F7

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 15 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-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
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-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-2546238-A1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2013-01-16 EP disclosed
US-8153654-B2 2012-04-10 US 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-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
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
WO-2009091898-A2 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2009-07-23 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 (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 304/4885F9 4578/4885
US-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same COQ8A, MAP3K7, PRKG2 ROCK2 214/4885ROCK1 304/4885F9 4578/4885

“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.