SCHEMBL20353545

SCHEMBL20353545

O=C(/C=C/c1ccoc1)Nc1ccc2cnccc2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 5/20 0.49
▸ CYP3A4 P08684 3/20 0.47
▸ NAMPT P43490 1/20 0.45
▸ PRMT3 O60678 4/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.43

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
SCHEMBL14124402 0.83 IMPDH2 (0.64) IMPDH2CYP3A4NAMPTPRMT3ROCK2
SCHEMBL20524933 0.80 CYP3A4 (0.57) IMPDH2CYP3A4NAMPTPRMT3ROCK2
SCHEMBL20524931 0.80 CYP3A4 (0.57) IMPDH2CYP3A4NAMPTPRMT3ROCK2
SCHEMBL20353539 0.79 RAB9A (0.67) IMPDH2CYP3A4NPC1RAB9A
SCHEMBL20353542 0.79 CYP3A4 (0.58) IMPDH2CYP3A4NAMPTPRMT3NPC1
SCHEMBL20353546 0.79 IMPDH2 (0.49) IMPDH2CYP3A4NAMPTPRMT3ROCK2
SCHEMBL20353518 0.78 MEN1 (0.70) IMPDH2CYP3A4NAMPTROCK2NPC1
SCHEMBL20353520 0.78 CYP3A4 (0.52) IMPDH2CYP3A4NAMPTROCK2ROCK1
SCHEMBL14124381 0.77 KDM4E (0.54) IMPDH2CYP3A4NAMPTNPC1RAB9A
SCHEMBL20353523 0.77 CYP3A4 (0.56) IMPDH2CYP3A4NAMPTPRMT3NPC1

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 2131/4885CYP3A4 2672/4885NAMPT 1188/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK IMPDH2 2131/4885CYP3A4 2672/4885NAMPT 1188/4885

“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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