SCHEMBL20353582

SCHEMBL20353582

CC(C)(N)C(=O)Nc1ccc2cnccc2c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 5/20 0.60
▸ ROCK2 O75116 9/20 0.54
▸ PRMT3 O60678 4/20 0.54
▸ ROCK1 Q13464 2/20 0.54
▸ NOTUM Q6P988 2/20 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
SCHEMBL20353507 0.88 IMPDH2 (0.63) IMPDH2ROCK2PRMT3ROCK1NOTUM
SCHEMBL29771003 0.87 IMPDH2 (0.62) IMPDH2ROCK2PRMT3ROCK1NOTUM
SCHEMBL28775933 0.87 IMPDH2 (0.62) IMPDH2ROCK2PRMT3ROCK1NOTUM
SCHEMBL2864755 0.82 IMPDH2 (0.61) IMPDH2ROCK2PRMT3ROCK1NOTUM
SCHEMBL31514965 0.80 IMPDH2 (0.68) IMPDH2ROCK2PRMT3ROCK1NOTUM
SCHEMBL30645380 0.80 IMPDH2 (0.68) IMPDH2ROCK2PRMT3ROCK1NOTUM
SCHEMBL31235417 0.80 IMPDH2 (0.66) IMPDH2ROCK2PRMT3ROCK1
SCHEMBL2570139 0.80 IMPDH2 (0.68) IMPDH2ROCK2PRMT3ROCK1NOTUM
SCHEMBL19900450 0.80 IMPDH2 (0.66) IMPDH2ROCK2PRMT3ROCK1
SCHEMBL9883175 0.79 IMPDH2 (0.57) IMPDH2ROCK2PRMT3ROCK1NOTUM

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 2 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

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

For each of this compound's patents that has machine-readable text (2 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-10472327-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK IMPDH2 2131/4885ROCK2 246/4885PRMT3 1026/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK IMPDH2 2131/4885ROCK2 246/4885PRMT3 1026/4885

“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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