SCHEMBL1105012

SCHEMBL1105012

N=C(N)NCC(CC(=O)Nc1ccc2cnccc2c1)c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.46
ROCK2 O75116 17/20 0.44
ROCK1 Q13464 4/20 0.44
PRMT3 O60678 1/20 0.44
MYLK4 Q86YV6 1/20 0.42
IMPDH2 P12268 1/20 0.41

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
SCHEMBL1105003 0.83 ROCK2 (0.52) TNIKROCK2ROCK1PRMT3MYLK4
Hydrochloric Acid SCHEMBL1094887 0.82 ROCK2 (0.51) TNIKROCK2ROCK1PRMT3MYLK4
SCHEMBL11956269 0.81 PRMT3 (0.49) TNIKROCK2ROCK1PRMT3IMPDH2
SCHEMBL1105031 0.80 ROCK2 (0.56) ROCK2ROCK1MYLK4
SCHEMBL1105005 0.77 ROCK2 (0.50) TNIKROCK2ROCK1PRMT3MYLK4
Hydrochloric Acid SCHEMBL1095275 0.77 ROCK2 (0.49) TNIKROCK2ROCK1PRMT3MYLK4
SCHEMBL11956276 0.75 PRMT3 (0.47) TNIKROCK2ROCK1PRMT3IMPDH2
SCHEMBL1105002 0.75 ROCK2 (0.72) ROCK2ROCK1MYLK4
SCHEMBL111601 0.75 ROCK2 (0.57) ROCK2ROCK1MYLK4
Hydrochloric Acid SCHEMBL1095734 0.74 ROCK2 (0.69) TNIKROCK2ROCK1MYLK4

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
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2021-08-19 US disclosed
US-11021456-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2021-06-01 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-20200140407-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2020-05-07 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
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-8153656-B2 2012-04-10 US disclosed
US-8153656-B2 2012-04-10 US disclosed
WO-2010011853-A2 BETA-AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2010-01-28 WO 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 (9 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 TNIK 789/4885ROCK2 135/4885ROCK1 213/4885
US-20200140407-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 TNIK 789/4885ROCK2 135/4885ROCK1 213/4885
US-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 TNIK 789/4885ROCK2 135/4885ROCK1 213/4885
US-20180170898-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 TNIK 789/4885ROCK2 135/4885ROCK1 213/4885
US-20200223818-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 TNIK 789/4885ROCK2 135/4885ROCK1 213/4885
US-20190127346-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 TNIK 789/4885ROCK2 135/4885ROCK1 213/4885
US-20120196916-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 TNIK 789/4885ROCK2 135/4885ROCK1 213/4885
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 TNIK 789/4885ROCK2 135/4885ROCK1 213/4885
US-11021456-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds PRKCQ, UACA, BCAT2 TNIK 789/4885ROCK2 135/4885ROCK1 213/4885

“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.