SCHEMBL13089990

SCHEMBL13089990

CN(C)CC(=O)NCC(=O)N1CC(Oc2cc(-c3cccc(C#N)c3)cc3ccncc23)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.36
TBK1 Q9UHD2 2/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
PREP P48147 1/20 0.34
NAMPT P43490 3/20 0.33
MCHR1 Q99705 3/20 0.33
MLNR O43193 2/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
LCK P06239 1/20 0.33
CDK1 P06493 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL13089978 0.88 KDM1A (0.38) DGAT2KDM1AMAOAMAOBEGLN1
SCHEMBL13087396 0.85 SCN9A (0.35) DGAT2TBK1KDM1AMAOAMAOB
SCHEMBL13087387 0.85 TBK1 (0.39) DGAT2TBK1SLC22A12IKBKBCHUK
SCHEMBL13087812 0.85 DGAT2 (0.42) DGAT2KDM1AMAOAMAOBEGLN1
SCHEMBL13089980 0.82 IRAK4 (0.39) DGAT2SLC22A12IKBKBCHUKMLNR
SCHEMBL13087208 0.80 SLC22A12 (0.39) DGAT2EGLN1SLC22A12IKBKBCHUK
SCHEMBL13087415 0.79 DGAT2 (0.41) DGAT2TBK1KDM1AMAOAMAOB
SCHEMBL13087173 0.79 IKBKB (0.45) TBK1IKBKBCHUK
SCHEMBL13087407 0.79 HRH3 (0.39) ROCK2CLK4SCN9A
SCHEMBL13441041 0.79 KDM1A (0.35) TBK1KDM1AMAOAMAOBMCHR1

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
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US 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 DGAT2 3474/4885TBK1 22/4885KDM1A 1279/4885

“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.