SCHEMBL2428445

SCHEMBL2428445

N#Cc1cccc(-c2cc(OC3CN(C(=N)N)C3)c3cnccc3c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP11B1 P15538 1/20 0.35
NEK1 Q96PY6 1/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
MKNK1 Q9BUB5 4/20 0.34
MKNK2 Q9HBH9 4/20 0.34
SCN9A Q15858 2/20 0.34
ROCK2 O75116 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA4 P43681 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
PAX8 Q06710 1/20 0.33
CDC7 O00311 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 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
SCHEMBL13087407 0.85 HRH3 (0.39) CYP11B2CYP17A1CYP11B1NEK1SCN9A
SCHEMBL13087387 0.85 TBK1 (0.39) IKBKBCHUKROCK2DGAT2PAX8
SCHEMBL13087304 0.84 IKBKB (0.44) CYP11B2CYP11B1IKBKBCHUKMKNK1
SCHEMBL13087281 0.83 SLC6A7 (0.39) CYP11B2CYP11B1IKBKBCHUKROCK2
SCHEMBL13089978 0.83 KDM1A (0.38) NEK1IKBKBCHUKSCN9AROCK2
SCHEMBL13087208 0.83 SLC22A12 (0.39) CYP11B2CYP11B1NEK1IKBKBCHUK
SCHEMBL2429964 0.82 CYP11B2 (0.40) CYP11B2CYP17A1CYP11B1NEK1CHRNB2
SCHEMBL3630922 0.81 SLC6A4 (0.41) CYP11B2CYP17A1CYP11B1NEK1IKBKB
SCHEMBL13087394 0.81 KCNK3 (0.41) CYP11B2CYP11B1IKBKBCHUKSCN9A
SCHEMBL13087782 0.81 PDE10A (0.37) CYP11B2IKBKBCHUKSCN9ADGAT2

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 CYP11B2 363/4885CYP17A1 777/4885CYP11B1 353/4885

“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.