SCHEMBL13087396

SCHEMBL13087396

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
P2RX7 Q99572 1/20 0.34
IKBKB O14920 2/20 0.33
CHUK O15111 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
TNIK Q9UKE5 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CTPS1 P17812 1/20 0.33
MLNR O43193 1/20 0.33
PAX8 Q06710 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
USP30 Q70CQ3 2/20 0.32
NAMPT P43490 1/20 0.32
UCHL1 P09936 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL13087387 0.87 TBK1 (0.39) DGAT2IKBKBCHUKSLC22A12PAX8
SCHEMBL13089978 0.85 KDM1A (0.38) SCN9ADGAT2IKBKBCHUKSLC22A12
SCHEMBL13089990 0.85 DGAT2 (0.36) SCN9ADGAT2IKBKBCHUKSLC22A12
SCHEMBL13087208 0.82 SLC22A12 (0.39) SCN9ADGAT2IKBKBCHUKSLC22A12
SCHEMBL13089980 0.81 IRAK4 (0.39) SCN9ADGAT2IKBKBCHUKSLC22A12
SCHEMBL13087407 0.80 HRH3 (0.39) SCN9ATNIKUSP30CYP11B1CYP11B2
SCHEMBL2428445 0.80 CYP11B2 (0.35) SCN9ADGAT2IKBKBCHUKPAX8
SCHEMBL13087281 0.80 SLC6A7 (0.39) DGAT2IKBKBCHUKSLC22A12PAX8
SCHEMBL13087394 0.79 KCNK3 (0.41) SCN9ADGAT2IKBKBCHUKSLC22A12
SCHEMBL13087782 0.79 PDE10A (0.37) SCN9ADGAT2IKBKBCHUKSLC22A12

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 SCN9A 3038/4885DGAT2 3474/4885P2RX7 2571/4885

“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.