SCHEMBL20353507

SCHEMBL20353507

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

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 5/20 0.63
▸ PRMT3 O60678 7/20 0.56
▸ ROCK2 O75116 3/20 0.53
▸ ROCK1 Q13464 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NOTUM Q6P988 2/20 0.52
▸ AAK1 Q2M2I8 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 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
SCHEMBL28775933 0.90 IMPDH2 (0.62) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL29771003 0.90 IMPDH2 (0.62) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL20353582 0.88 IMPDH2 (0.60) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL2864755 0.85 IMPDH2 (0.61) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL2570139 0.83 IMPDH2 (0.68) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL31514965 0.83 IMPDH2 (0.68) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL30645380 0.83 IMPDH2 (0.68) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL3557637 0.81 PRMT3 (0.60) IMPDH2PRMT3ROCK2NOTUMAAK1
SCHEMBL3557635 0.81 IMPDH2 (0.59) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL30579695 0.81 IMPDH2 (0.72) IMPDH2PRMT3ROCK2ROCK1NOTUM

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 2131/4885PRMT3 1026/4885ROCK2 246/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK IMPDH2 2131/4885PRMT3 1026/4885ROCK2 246/4885

“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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