SCHEMBL2162616

SCHEMBL2162616

O=C(CNCc1ccccc1)Nc1ccc2cnccc2c1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.70
PRMT3 O60678 3/20 0.61
RECQL P46063 1/20 0.56
NOTUM Q6P988 4/20 0.56
ROCK1 Q13464 4/20 0.55
ROCK2 O75116 6/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL19860124 0.93 IMPDH2 (0.59) IMPDH2PRMT3NOTUMKDM4EALDH1A1
SCHEMBL19860110 0.92 IMPDH2 (0.59) IMPDH2PRMT3NOTUMROCK1ROCK2
SCHEMBL19860125 0.88 PRMT3 (0.71) IMPDH2PRMT3NOTUMROCK1ROCK2
SCHEMBL19860106 0.88 ROCK1 (0.57) IMPDH2PRMT3NOTUMROCK1ROCK2
SCHEMBL19860123 0.88 IMPDH2 (0.71) IMPDH2PRMT3NOTUMROCK1ROCK2
SCHEMBL2163047 0.88 NOTUM (0.65) IMPDH2PRMT3NOTUMROCK1ROCK2
SCHEMBL14124375 0.88 ROCK1 (0.59) IMPDH2PRMT3NOTUMROCK1ROCK2
SCHEMBL19860126 0.86 PRMT3 (0.65) IMPDH2PRMT3NOTUMROCK1ROCK2
SCHEMBL19860042 0.86 MEN1 (0.60) IMPDH2PRMT3NOTUMROCK2KDM4E
SCHEMBL2162395 0.86 ROCK2 (0.61) IMPDH2PRMT3NOTUMROCK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118064-A2 6-AMINOISOQUINOLINE COMPOUNDS USEFUL AS KINASE MODULATORS AERIE PHARMACEUTICALS, INC. (US) 2009-11-18 EP claimed
WO-2008086269-A2 6-AMINOISOQUINOLINE COMPOUNDS USEFUL AS KINASE MODULATORS AERIE PHARMACEUTICALS, INC. (US) 2008-07-17 WO claimed
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
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 (6 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-20200181090-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK IMPDH2 2131/4885PRMT3 1026/4885RECQL 153/4885
US-20080167340-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK IMPDH2 2131/4885PRMT3 1026/4885RECQL 153/4885
US-10472327-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK IMPDH2 2131/4885PRMT3 1026/4885RECQL 153/4885
US-10899714-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK IMPDH2 2131/4885PRMT3 1026/4885RECQL 153/4885
US-20070173530-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK IMPDH2 2131/4885PRMT3 1026/4885RECQL 153/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK IMPDH2 2131/4885PRMT3 1026/4885RECQL 153/4885

“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.