SCHEMBL2424475

SCHEMBL2424475

N#Cc1cccc(-c2cc(OC3CCNCC3)c3cnccc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.51
CHUK O15111 9/20 0.51
ROCK1 Q13464 3/20 0.51
LCK P06239 2/20 0.51
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
AKT1 P31749 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SYK P43405 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PRKCZ Q05513 1/20 0.38
HRH1 P35367 1/20 0.38
NEK1 Q96PY6 1/20 0.38

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
SCHEMBL3630922 0.91 SLC6A4 (0.41) IKBKBCHUKROCK1LCKMKNK1
SCHEMBL13440925 0.86 IKBKB (0.53) IKBKBCHUKROCK1LCKMKNK1
SCHEMBL12326819 0.86 IKBKB (0.64) IKBKBCHUKROCK1LCKMKNK1
SCHEMBL13087407 0.84 HRH3 (0.39) SLC6A2SLC6A3CYP1A2CLK4CYP17A1
SCHEMBL3630020 0.84 GPR6 (0.39) IKBKBCHUKROCK1LCKSLC6A2
SCHEMBL2426066 0.84 GPR6 (0.42) IKBKBCHUKROCK1LCKSLC6A2
SCHEMBL2424358 0.84 GPR6 (0.42) IKBKBCHUKMKNK1MKNK2CYP17A1
SCHEMBL12327902 0.83 IKBKB (0.51) IKBKBCHUKROCK1LCKMKNK1
SCHEMBL13442191 0.83 IKBKB (0.55) IKBKBCHUKROCK1LCKMKNK1
SCHEMBL13087304 0.83 IKBKB (0.44) IKBKBCHUKMKNK1MKNK2CYP11B1

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 7 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
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
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
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 WO 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 IKBKB 7/4885CHUK 17/4885ROCK1 745/4885

“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.