SCHEMBL2430099

SCHEMBL2430099

CC(C)(C)OC(=O)N1CC(N2CCC(Nc3cc(-c4cccc(C#N)c4)cc4ccncc34)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.45
GPR119 Q8TDV5 3/20 0.41
DYRK1A Q13627 1/20 0.40
PIK3CD O00329 1/20 0.39
ROCK2 O75116 2/20 0.39
NSD2 O96028 2/20 0.39
EHMT2 Q96KQ7 1/20 0.39
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 2/20 0.37
CCNT1 O60563 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CDK7 P50613 1/20 0.37
IRAK1 P51617 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MGLL Q99685 1/20 0.37
USP30 Q70CQ3 2/20 0.36

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
SCHEMBL2430796 0.94 IRAK4 (0.48) IRAK4GPR119DYRK1APIK3CDNSD2
SCHEMBL2494550 0.92 GPR119 (0.48) IRAK4GPR119DYRK1APIK3CDROCK2
SCHEMBL2427804 0.90 ROCK2 (0.43) IRAK4GPR119DYRK1APIK3CDROCK2
SCHEMBL2425868 0.85 ROCK2 (0.45) IRAK4ROCK2CLK4
SCHEMBL2425299 0.85 ROCK2 (0.40) IRAK4GPR119DYRK1APIK3CDROCK2
SCHEMBL2425114 0.83 CYP1A2 (0.44) IRAK4ROCK2CLK4
SCHEMBL2425647 0.83 ROCK2 (0.43) IRAK4DYRK1AROCK2NSD2EHMT2
SCHEMBL2430762 0.82 ROCK2 (0.42) ROCK2NSD2EHMT2CDK9CCNT1
SCHEMBL13087303 0.81 ROCK2 (0.46) IRAK4PIK3CDROCK2USP30PIK3CA
SCHEMBL13087240 0.81 ROCK2 (0.46) IRAK4PIK3CDROCK2USP30PIK3CA

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 IRAK4 14/4885GPR119 1188/4885DYRK1A 2485/4885

“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.