SCHEMBL14124392

SCHEMBL14124392

COc1ccc(OC(=O)Nc2ccc3cnccc3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 9/20 0.61
▸ IMPDH2 P12268 4/20 0.56
▸ ALDH1A1 P00352 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ PRMT3 O60678 3/20 0.52
▸ NOTUM Q6P988 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50

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
SCHEMBL1568575 0.86 IMPDH2 (0.68) ROCK2IMPDH2ALDH1A1PRMT3NOTUM
SCHEMBL1568741 0.83 IMPDH2 (0.63) ROCK2IMPDH2ALDH1A1SMN1; SMN2PRMT3
SCHEMBL19860093 0.81 ROCK2 (0.61) ROCK2IMPDH2ALDH1A1SMN1; SMN2PRMT3
SCHEMBL3593343 0.81 ACHE (0.61) ROCK2IMPDH2PRMT3NOTUM
SCHEMBL20353459 0.79 ROCK2 (0.57) ROCK2IMPDH2PRMT3NOTUM
SCHEMBL20353458 0.79 NOTUM (0.71) ROCK2IMPDH2PRMT3NOTUM
SCHEMBL6630095 0.78 IMPDH2 (0.64) ROCK2IMPDH2ALDH1A1GAAHTT
SCHEMBL3066012 0.78 IMPDH2 (0.63) ROCK2IMPDH2PRMT3NOTUM
SCHEMBL19860042 0.77 MEN1 (0.60) ROCK2IMPDH2ALDH1A1PRMT3NOTUM
SCHEMBL31514965 0.77 IMPDH2 (0.68) ROCK2IMPDH2PRMT3NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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

For each of this compound's patents that has machine-readable text (3 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-20080167340-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK ROCK2 246/4885IMPDH2 2131/4885ALDH1A1 2478/4885
US-10472327-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK ROCK2 246/4885IMPDH2 2131/4885ALDH1A1 2478/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK ROCK2 246/4885IMPDH2 2131/4885ALDH1A1 2478/4885

“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.

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