SCHEMBL2163291

SCHEMBL2163291

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

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.76
JAK2 O60674 13/20 0.76
ROCK1 Q13464 13/20 0.76
JAK3 P52333 12/20 0.76
IKBKB O14920 8/20 0.68
JAK1 P23458 5/20 0.68
TYK2 P29597 5/20 0.68
NAMPT P43490 2/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
GAA P10253 1/20 0.67
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
IMPDH2 P12268 1/20 0.60
DEGS1 O15121 1/20 0.57

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
SCHEMBL12465048 1.00 ROCK2 (0.76) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL25478352 1.00 ROCK2 (0.76) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL3613021 1.00 ROCK2 (0.76) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL2163450 1.00 ROCK2 (0.76) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL20353563 0.93 ROCK2 (0.69) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL20353560 0.92 JAK2 (0.70) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL20525021 0.90 ROCK2 (0.69) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL20524964 0.90 ROCK2 (0.69) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL22752104 0.89 ROCK2 (0.68) ROCK2JAK2ROCK1JAK3IKBKB
SCHEMBL21774943 0.89 ROCK2 (0.63) ROCK2JAK2ROCK1JAK3IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10899714-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2021-01-26 US disclosed
US-20200181090-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2020-06-11 US disclosed
US-20200181090-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2020-06-11 US disclosed
US-10472327-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2019-11-12 US disclosed
US-10472327-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2019-11-12 US disclosed
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2018-07-05 US disclosed
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2018-07-05 US disclosed
US-9890123-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2018-02-13 US disclosed
US-9890123-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2018-02-13 US disclosed
US-20160280656-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2016-09-29 US disclosed
US-20100137364-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-7671205-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2010-03-02 US disclosed
US-7671205-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2010-03-02 US disclosed
US-7671205-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2010-03-02 US disclosed
US-20080167340-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
US-20080167340-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
US-20080167340-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 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-20160280656-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK ROCK2 246/4885JAK2 616/4885ROCK1 375/4885
US-20200181090-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK ROCK2 246/4885JAK2 616/4885ROCK1 375/4885
US-20100137364-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK ROCK2 246/4885JAK2 616/4885ROCK1 375/4885
US-20080167340-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK ROCK2 246/4885JAK2 616/4885ROCK1 375/4885
US-10472327-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK ROCK2 246/4885JAK2 616/4885ROCK1 375/4885
US-10899714-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK ROCK2 246/4885JAK2 616/4885ROCK1 375/4885
US-20070173530-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK ROCK2 246/4885JAK2 616/4885ROCK1 375/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK ROCK2 246/4885JAK2 616/4885ROCK1 375/4885

“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.