SCHEMBL13087782

SCHEMBL13087782

Cn1nccc1C(=O)N1CC(Oc2cc(-c3cccc(C#N)c3)cc3ccncc23)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 2/20 0.36
DGAT2 Q96PD7 2/20 0.36
LMNA P02545 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
NAMPT P43490 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
SLC6A7 Q99884 1/20 0.34
KDM4E B2RXH2 2/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
SCN9A Q15858 2/20 0.34
KDM5A P29375 1/20 0.33
PAX8 Q06710 1/20 0.33
PKM P14618 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
SCHEMBL13087171 0.92 IKBKB (0.42) PIK3CDPIK3CACYP11B2ALDH1A1DGAT2
SCHEMBL13087394 0.89 KCNK3 (0.41) PDE10APIK3CDPIK3CACYP11B2DGAT2
SCHEMBL13087812 0.88 DGAT2 (0.42) DGAT2NAMPTSLC22A12SCN9A
SCHEMBL13087281 0.84 SLC6A7 (0.39) PDE10ACYP11B2DGAT2HCRTR1HCRTR2
SCHEMBL13087407 0.83 HRH3 (0.39) CYP11B2ALDH1A1SCN9A
SCHEMBL13087387 0.83 TBK1 (0.39) PDE10ADGAT2NAMPTSLC22A12SLC6A7
SCHEMBL13087415 0.82 DGAT2 (0.41) DGAT2NAMPTIKBKBCHUK
SCHEMBL13089978 0.82 KDM1A (0.38) DGAT2NAMPTSLC22A12IKBKBCHUK
SCHEMBL13087208 0.82 SLC22A12 (0.39) PDE10ACYP11B2DGAT2HCRTR1HCRTR2
SCHEMBL2428445 0.81 CYP11B2 (0.35) CYP11B2DGAT2IKBKBCHUKSCN9A

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 PDE10A 4001/4885PIK3CD 763/4885PIK3CA 1087/4885

“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.