SCHEMBL2486778

SCHEMBL2486778

CC(C)(C)OC(=O)N1CCC(Sc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.45
SLC22A12 Q96S37 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL3632369 0.85 SLC22A12 (0.40) SLC22A12
SCHEMBL2492757 0.85 GPR119 (0.48) GPR119
SCHEMBL2494550 0.85 GPR119 (0.48) GPR119IRAK4
SCHEMBL13087449 0.82 CCNT1 (0.41) SLC22A12IRAK4
SCHEMBL2430796 0.81 IRAK4 (0.48) GPR119IRAK4
SCHEMBL13090022 0.80 VCP (0.38) SLC22A12IRAK4
SCHEMBL2426906 0.80 CLK4 (0.42) SLC22A12
SCHEMBL2430099 0.78 IRAK4 (0.45) GPR119IRAK4
SCHEMBL2427804 0.77 ROCK2 (0.43) GPR119IRAK4
SCHEMBL25259462 0.75 USP30 (0.62) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 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 (1 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-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 GPR119 1188/4885SLC22A12 4617/4885IRAK4 14/4885

“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.