SCHEMBL1123536

SCHEMBL1123536

N[C@@H](C(=O)Nc1ccc2ccncc2c1)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.55
ROCK1 Q13464 2/20 0.55
PRMT3 O60678 6/20 0.52
AAK1 Q2M2I8 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
HTR1E P28566 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
S1PR3 Q99500 1/20 0.50

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
SCHEMBL14562581 1.00 ROCK2 (0.55) ROCK2ROCK1PRMT3AAK1MEN1
SCHEMBL14562668 0.99 ROCK2 (0.54) ROCK2ROCK1PRMT3AAK1MEN1
SCHEMBL1123677 0.99 ROCK2 (0.54) ROCK2ROCK1PRMT3AAK1MEN1
SCHEMBL13764333 0.95 ROCK2 (0.61) ROCK2ROCK1PRMT3
SCHEMBL13764335 0.94 ROCK2 (0.60) ROCK2ROCK1PRMT3
SCHEMBL13302851 0.86 PRMT3 (0.46) ROCK2ROCK1PRMT3MEN1LMNA
SCHEMBL13302852 0.85 PRMT3 (0.47) ROCK2ROCK1PRMT3AAK1
SCHEMBL1105183 0.82 PRMT3 (0.56) ROCK2ROCK1PRMT3AAK1
Hydrochloric Acid SCHEMBL1096178 0.82 PRMT3 (0.49) ROCK2ROCK1PRMT3
SCHEMBL1105170 0.82 PRMT3 (0.56) ROCK2ROCK1PRMT3AAK1

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-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-2546239-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-2546237-A1 7-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
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
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

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-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same COQ8A, MAP3K7, PRKG2 ROCK2 214/4885ROCK1 304/4885PRMT3 657/4885

“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.