SCHEMBL2162496

SCHEMBL2162496

O=C(CN1CCOCC1)Nc1ccc2cnccc2c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
HPGD P15428 2/20 0.58
ALOX15 P16050 1/20 0.58
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 1/20 0.57
GAA P10253 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPK1 P28482 1/20 0.57
ATM Q13315 1/20 0.56
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GSK3B P49841 2/20 0.55
DYRK1A Q13627 2/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 2/20 0.55

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
SCHEMBL19860085 0.89 TERT (0.64) ALDH1A1HPGDMEN1POLBKMT2A
SCHEMBL19860074 0.88 TERT (0.63) ALDH1A1HPGDMEN1POLBKMT2A
SCHEMBL19860104 0.87 PRMT3 (0.52)
SCHEMBL14124393 0.86 IMPDH2 (0.52) ALDH1A1LMNAGSK3BDYRK1A
SCHEMBL19860084 0.86 IMPDH2 (0.55) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL19860076 0.84 LMNA (0.61) ALDH1A1MEN1POLBKMT2AGAA
SCHEMBL19860073 0.84 IMPDH2 (0.53) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL14124408 0.82 TERT (0.53) ALDH1A1POLBLMNAGSK3BDYRK1A
SCHEMBL19860086 0.82 GSK3B (0.58) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL28350576 0.81 JAK3 (0.55) ALDH1A1HPGDALOX15MEN1POLB

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 48 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
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
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 ALDH1A1 2478/4885HPGD 1195/4885ALOX15 3626/4885
US-20200181090-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK ALDH1A1 2478/4885HPGD 1195/4885ALOX15 3626/4885
US-20080167340-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK ALDH1A1 2478/4885HPGD 1195/4885ALOX15 3626/4885
US-10472327-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK ALDH1A1 2478/4885HPGD 1195/4885ALOX15 3626/4885
US-10899714-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK ALDH1A1 2478/4885HPGD 1195/4885ALOX15 3626/4885
US-20070173530-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK ALDH1A1 2478/4885HPGD 1195/4885ALOX15 3626/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK ALDH1A1 2478/4885HPGD 1195/4885ALOX15 3626/4885

“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.