SCHEMBL3630922

SCHEMBL3630922

N#Cc1cccc(-c2cc(OC3CNC3)c3cnccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.41
IKBKB O14920 2/20 0.41
CHUK O15111 2/20 0.41
LCK P06239 1/20 0.40
ROCK1 Q13464 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
NEK1 Q96PY6 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
IDO1 P14902 1/20 0.38
MAOB P27338 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
SCHEMBL2424475 0.91 IKBKB (0.51) IKBKBCHUKLCKROCK1SLC6A2
SCHEMBL13087407 0.85 HRH3 (0.39) SLC6A2SLC6A3CYP17A1CYP11B1CYP11B2
SCHEMBL2429964 0.82 CYP11B2 (0.40) CYP17A1CYP11B1CYP11B2NEK1CHRNB2
SCHEMBL2428445 0.81 CYP11B2 (0.35) IKBKBCHUKSLC6A2SLC6A3CYP17A1
SCHEMBL3630020 0.81 GPR6 (0.39) IKBKBCHUKLCKROCK1SLC6A2
SCHEMBL2424358 0.81 GPR6 (0.42) IKBKBCHUKCYP17A1CYP11B1CYP11B2
SCHEMBL2426066 0.81 GPR6 (0.42) IKBKBCHUKLCKROCK1SLC6A2
SCHEMBL13087718 0.80 IKBKB (0.46) IKBKBCHUK
SCHEMBL13087304 0.80 IKBKB (0.44) IKBKBCHUKCYP11B1CYP11B2MKNK1
SCHEMBL13087387 0.80 TBK1 (0.39) IKBKBCHUKDGAT2

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 6 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
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
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 SLC6A4 4045/4885IKBKB 7/4885CHUK 17/4885

“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.