SCHEMBL20353459

SCHEMBL20353459

O=C(Nc1ccc2cnccc2c1)Oc1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 7/20 0.57
▸ IMPDH2 P12268 5/20 0.54
▸ ROCK1 Q13464 3/20 0.53
▸ NOTUM Q6P988 4/20 0.53
▸ PRMT3 O60678 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46

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) ROCK2IMPDH2ROCK1NOTUMPRMT3
SCHEMBL20353458 0.85 NOTUM (0.71) ROCK2IMPDH2ROCK1NOTUMPRMT3
SCHEMBL29738320 0.82 TAAR1 (0.64) NOTUMTAAR1
SCHEMBL1568741 0.82 IMPDH2 (0.63) ROCK2IMPDH2ROCK1NOTUMPRMT3
SCHEMBL14124392 0.79 ROCK2 (0.61) ROCK2IMPDH2NOTUMPRMT3
SCHEMBL6630095 0.78 IMPDH2 (0.64) ROCK2IMPDH2ROCK1PRMT3
SCHEMBL3593323 0.76 ROCK2 (0.58) ROCK2IMPDH2ROCK1NOTUMPRMT3
SCHEMBL28574331 0.76 KMT2A (0.68) —
SCHEMBL30209208 0.75 IMPDH2 (0.54) ROCK2IMPDH2ROCK1NOTUMPRMT3
SCHEMBL30209215 0.75 IMPDH2 (0.54) ROCK2IMPDH2ROCK1NOTUMPRMT3

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 ROCK2 246/4885IMPDH2 2131/4885ROCK1 375/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK ROCK2 246/4885IMPDH2 2131/4885ROCK1 375/4885

“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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