SCHEMBL1105014

SCHEMBL1105014

O=C(Nc1ccc2cnccc2c1)[C@@H]1CNC[C@H]1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.60
ROCK1 Q13464 15/20 0.60
JAK2 O60674 14/20 0.60
JAK3 P52333 12/20 0.60
IMPDH2 P12268 2/20 0.55
IKBKB O14920 7/20 0.54
JAK1 P23458 4/20 0.54
TYK2 P29597 4/20 0.54
PRMT3 O60678 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
SCHEMBL11895759 1.00 ROCK2 (0.60) ROCK2ROCK1JAK2JAK3IMPDH2
SCHEMBL11895760 1.00 ROCK2 (0.60) ROCK2ROCK1JAK2JAK3IMPDH2
SCHEMBL11895483 0.89 ROCK2 (0.55) ROCK2ROCK1JAK2JAK3IKBKB
SCHEMBL1105013 0.89 ROCK2 (0.55) ROCK2ROCK1JAK2JAK3IKBKB
SCHEMBL11895482 0.89 ROCK2 (0.55) ROCK2ROCK1JAK2JAK3IKBKB
SCHEMBL25478352 0.86 ROCK2 (0.76) ROCK2ROCK1JAK2JAK3IMPDH2
SCHEMBL2163450 0.86 ROCK2 (0.76) ROCK2ROCK1JAK2JAK3IMPDH2
SCHEMBL3613021 0.86 ROCK2 (0.76) ROCK2ROCK1JAK2JAK3IMPDH2
SCHEMBL12465048 0.86 ROCK2 (0.76) ROCK2ROCK1JAK2JAK3IMPDH2
SCHEMBL2163291 0.86 ROCK2 (0.76) ROCK2ROCK1JAK2JAK3IMPDH2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326623-B1 BETA-AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS AERIE PHARMACEUTICALS INC (US) 2014-04-16 EP claimed
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2021-08-19 US disclosed
US-10882840-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-20200223818-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2020-07-16 US disclosed
US-20190127346-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2019-05-02 US disclosed
US-20180170898-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2018-06-21 US disclosed
US-20180170898-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2018-06-21 US disclosed
US-9884840-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9884840-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-20170073325-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2017-03-16 US disclosed
EP-2326623-B1 BETA-AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS AERIE PHARMACEUTICALS INC (US) 2014-04-16 EP disclosed
US-8450344-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450344-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20120196916-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2012-08-02 US disclosed
US-20120196916-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2012-08-02 US disclosed
US-20120196916-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2012-08-02 US disclosed
US-8153656-B2 2012-04-10 US disclosed
US-8153656-B2 2012-04-10 US disclosed
US-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2010-01-28 US disclosed
US-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2010-01-28 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 (8 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-10882840-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds PRKCQ, UACA, BCAT2 ROCK2 135/4885ROCK1 213/4885JAK2 641/4885
US-20170073325-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 ROCK2 135/4885ROCK1 213/4885JAK2 641/4885
US-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 ROCK2 135/4885ROCK1 213/4885JAK2 641/4885
US-20180170898-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 ROCK2 135/4885ROCK1 213/4885JAK2 641/4885
US-20200223818-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 ROCK2 135/4885ROCK1 213/4885JAK2 641/4885
US-20190127346-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 ROCK2 135/4885ROCK1 213/4885JAK2 641/4885
US-20120196916-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 ROCK2 135/4885ROCK1 213/4885JAK2 641/4885
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 ROCK2 135/4885ROCK1 213/4885JAK2 641/4885

“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.