SCHEMBL2162998

SCHEMBL2162998

O=C(NCc1ccccc1)Nc1ccc2cnccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 5/20 1.00
PRMT3 O60678 8/20 0.78
ROCK2 O75116 3/20 0.62
ROCK1 Q13464 2/20 0.62
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NAMPT P43490 2/20 0.58

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
SCHEMBL20353462 0.88 IMPDH2 (0.78) IMPDH2PRMT3ROCK2NAMPT
SCHEMBL11713731 0.85 IMPDH2 (0.74) IMPDH2PRMT3ROCK2ROCK1HTT
SCHEMBL14470506 0.85 IMPDH2 (0.73) IMPDH2ROCK2ROCK1
SCHEMBL14324782 0.85 L3MBTL1 (0.74) IMPDH2SMN1; SMN2L3MBTL1NAMPT
SCHEMBL20353578 0.85 IMPDH2 (0.80) IMPDH2PRMT3ROCK2ROCK1HTT
SCHEMBL5658162 0.84 IMPDH2 (0.73) IMPDH2PRMT3ROCK2NAMPT
SCHEMBL20353587 0.84 IMPDH2 (0.72) IMPDH2PRMT3ROCK2
SCHEMBL20353575 0.84 IMPDH2 (1.00) IMPDH2PRMT3ROCK2ROCK1
SCHEMBL29450627 0.83 IMPDH2 (0.71) IMPDH2PRMT3ROCK2ROCK1HTT
SCHEMBL20353460 0.83 IMPDH2 (0.71) IMPDH2PRMT3ROCK2SMN1; SMN2L3MBTL1

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 50 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-7671205-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2010-03-02 US disclosed
EP-2118064-A2 6-AMINOISOQUINOLINE COMPOUNDS USEFUL AS KINASE MODULATORS AERIE PHARMACEUTICALS, INC. (US) 2009-11-18 EP disclosed
WO-2008086269-A2 6-AMINOISOQUINOLINE COMPOUNDS USEFUL AS KINASE MODULATORS AERIE PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
WO-2008086269-A2 6-AMINOISOQUINOLINE COMPOUNDS USEFUL AS KINASE MODULATORS AERIE PHARMACEUTICALS, INC. (US) 2008-07-17 WO 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 (7 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 IMPDH2 2131/4885PRMT3 1026/4885ROCK2 246/4885
US-20200181090-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK IMPDH2 2131/4885PRMT3 1026/4885ROCK2 246/4885
US-20080167340-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK IMPDH2 2131/4885PRMT3 1026/4885ROCK2 246/4885
US-10472327-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK IMPDH2 2131/4885PRMT3 1026/4885ROCK2 246/4885
US-10899714-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK IMPDH2 2131/4885PRMT3 1026/4885ROCK2 246/4885
US-20070173530-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK IMPDH2 2131/4885PRMT3 1026/4885ROCK2 246/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK IMPDH2 2131/4885PRMT3 1026/4885ROCK2 246/4885

“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.