SCHEMBL13089980

SCHEMBL13089980

CN(C)CC(=O)N1CC(COc2cc(-c3cccc(C#N)c3)cc3ccncc23)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.39
BRD4 O60885 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
MLNR O43193 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
SCN9A Q15858 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
SLC6A7 Q99884 1/20 0.35
JAK3 P52333 3/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
THRB P10828 1/20 0.35
PIM1 P11309 1/20 0.34
PAX8 Q06710 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL13087406 0.85 BRD4 (0.40) BRD4SCN9AIKBKBCHUK
SCHEMBL13089990 0.82 DGAT2 (0.36) IRAK4DGAT2MLNRSCN9ASLC22A12
SCHEMBL2424122 0.82 IKBKB (0.45) BRD4DGAT2SCN9AIKBKBCHUK
Bicarbonate SCHEMBL15158110 0.82 DGAT2 (0.43) BRD4DGAT2SCN9ASLC22A12IKBKB
Bicarbonate SCHEMBL15158107 0.82 DGAT2 (0.43) BRD4DGAT2SCN9ASLC22A12IKBKB
SCHEMBL13087396 0.81 SCN9A (0.35) DGAT2MLNRSCN9ASLC22A12SLC6A7
SCHEMBL13087267 0.80 IRAK4 (0.39) IRAK4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13087387 0.79 TBK1 (0.39) DGAT2SLC22A12SLC6A7IKBKBCHUK
SCHEMBL13089978 0.78 KDM1A (0.38) DGAT2SCN9ASLC22A12IKBKBCHUK
SCHEMBL13087253 0.78 IKBKB (0.46) IRAK4BRD4SCN9AIKBKBCHUK

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 IRAK4 14/4885BRD4 162/4885DGAT2 3474/4885

“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.