SCHEMBL12201798

SCHEMBL12201798

CCC(=O)Nc1ccc2cnccc2c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 8/20 0.64
IMPDH2 P12268 5/20 0.63
NOTUM Q6P988 5/20 0.62
ROCK2 O75116 2/20 0.54
ROCK1 Q13464 1/20 0.53

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
Hydrochloric Acid SCHEMBL111600 0.98 PRMT3 (0.62) PRMT3IMPDH2NOTUMROCK2ROCK1
SCHEMBL16634909 0.88 PRMT3 (0.61) PRMT3IMPDH2NOTUM
SCHEMBL20262924 0.87 KDM4E (0.66) PRMT3IMPDH2NOTUMROCK2ROCK1
SCHEMBL30176801 0.87 KDM4E (0.66) PRMT3IMPDH2NOTUMROCK2ROCK1
SCHEMBL19860095 0.86 IMPDH2 (0.62) PRMT3IMPDH2NOTUMROCK2ROCK1
SCHEMBL19860105 0.86 PRMT3 (0.62) PRMT3IMPDH2NOTUM
SCHEMBL14157781 0.85 CYP3A4 (0.65)
SCHEMBL2162755 0.85 NOTUM (0.62) PRMT3IMPDH2NOTUMROCK2ROCK1
SCHEMBL12201759 0.85 IMPDH2 (0.61) PRMT3IMPDH2NOTUMROCK2ROCK1
SCHEMBL19860096 0.85 NOTUM (0.65) PRMT3IMPDH2NOTUM

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11618748-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
US-20220088000-A1 COMBINATION THERAPY ALCON INC. (CH) 2022-03-24 US disclosed
US-11197853-B2 Combination therapy AERIE PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20210236477-A1 COMBINATION THERAPY ALCON INC. (CH) 2021-08-05 US disclosed
US-11020385-B2 Combination therapy AERIE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-20200181090-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2020-06-11 US disclosed
US-20200129498-A1 COMBINATION THERAPY ALCON INC. (CH) 2020-04-30 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-9890123-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2018-02-13 US disclosed
EP-1910297-B1 ISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS INC (US) 2016-05-25 EP disclosed
US-8455513-B2 Kinase inhibitors; anticarcinogenic agents; obesity, glaucoma; N-(4-(3-(isoquinolin-6-ylamino)-3-oxopropyl)phenyl)-4-methoxybenzamide AERIE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-8034943-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2011-10-11 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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-11618748-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 PRMT3 1452/4885IMPDH2 236/4885NOTUM 3447/4885
US-11020385-B2 Combination therapy PTGS1, PTGS2, PTGIS PRMT3 4083/4885IMPDH2 440/4885NOTUM 2574/4885
US-20200181090-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK PRMT3 1026/4885IMPDH2 2131/4885NOTUM 3635/4885
US-20220088000-A1 COMBINATION THERAPY PTGS1, PTGS2, PTGIS PRMT3 4083/4885IMPDH2 440/4885NOTUM 2574/4885
US-20100137364-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK PRMT3 1026/4885IMPDH2 2131/4885NOTUM 3635/4885
US-20080167340-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK PRMT3 1026/4885IMPDH2 2131/4885NOTUM 3635/4885
US-10472327-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK PRMT3 1026/4885IMPDH2 2131/4885NOTUM 3635/4885
US-20210236477-A1 COMBINATION THERAPY PTGS1, PTGS2, PTGIS PRMT3 4083/4885IMPDH2 440/4885NOTUM 2574/4885
US-20070173530-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK PRMT3 1026/4885IMPDH2 2131/4885NOTUM 3635/4885
US-20200129498-A1 COMBINATION THERAPY PTGS1, PTGS2, PTGIS PRMT3 4083/4885IMPDH2 440/4885NOTUM 2574/4885
US-11197853-B2 Combination therapy PTGS1, PTGS2, PTGIS PRMT3 4083/4885IMPDH2 440/4885NOTUM 2574/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK PRMT3 1026/4885IMPDH2 2131/4885NOTUM 3635/4885

“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.