SCHEMBL3336636

SCHEMBL3336636

CC(C)(C)N(C(=O)O)[C@@H](C(=O)Nc1ccc2c(O)nccc2c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 2/20 0.43
▸ ROCK2 O75116 4/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ GRM4 Q14833 6/20 0.41
▸ F7 P08709 2/20 0.39
▸ F3 P13726 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37

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
SCHEMBL1097886 0.88 ROCK2 (0.50) F9ROCK2ROCK1GRM4F7
SCHEMBL6717793 0.81 KMT2A (0.50) ROCK2ROCK1ALDH1A1GAA
SCHEMBL3407219 0.81 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL1095866 0.81 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL6723623 0.77 POLB (0.51) ALDH1A1GAA
SCHEMBL6716854 0.75 ALDH1A1 (0.53) ALDH1A1GAA
SCHEMBL4532143 0.75 ROCK2 (0.48) ROCK2ROCK1ALDH1A1GAAPSEN1
SCHEMBL4519493 0.75 ROCK2 (0.48) ROCK2ROCK1ALDH1A1GAAPSEN1
SCHEMBL6719052 0.74 ALDH1A1 (0.48) ALDH1A1GAA
SCHEMBL6715563 0.74 CRHBP (0.54) ALDH1A1GAA

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 9 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-2546237-A1 7-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
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-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 F9 4578/4885ROCK2 214/4885ROCK1 304/4885
US-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same COQ8A, MAP3K7, PRKG2 F9 4578/4885ROCK2 214/4885ROCK1 304/4885

“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.

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