SCHEMBL13087684

SCHEMBL13087684

CC(=O)CS(=O)(=O)N1CC(Nc2cc(-c3cccc(C#N)c3)cc3ccncc23)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.39
DGAT2 Q96PD7 1/20 0.37
PRKCZ Q05513 6/20 0.35
PRKD2 Q9BZL6 5/20 0.35
NEK1 Q96PY6 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
GPR6 P46095 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CYP11B2 P19099 2/20 0.34
USP30 Q70CQ3 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SCN9A Q15858 1/20 0.33
CYP11B1 P15538 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
SCHEMBL13087249 0.92 ROCK2 (0.42) ROCK2DGAT2PRKCZPRKD2CCNT1
SCHEMBL13087334 0.87 ROCK2 (0.41) ROCK2DGAT2PRKCZPRKD2NEK1
SCHEMBL13087160 0.85 ROCK2 (0.41) ROCK2DGAT2PRKCZPRKD2NEK1
SCHEMBL13087843 0.85 ROCK2 (0.42) ROCK2DGAT2PRKCZPRKD2GPR6
SCHEMBL13087712 0.83 ROCK2 (0.45) ROCK2PRKCZPRKD2GPR6CYP11B2
SCHEMBL13087361 0.82 ROCK2 (0.46) ROCK2PRKCZPRKD2CCNT1CDK9
SCHEMBL13087305 0.82 ROCK2 (0.46) ROCK2PRKCZPRKD2CCNT1CDK9
SCHEMBL13087870 0.82 ROCK2 (0.42) ROCK2DGAT2PRKCZPRKD2NEK1
SCHEMBL13089962 0.81 PAX8 (0.48) ROCK2DGAT2PRKCZPRKD2GPR6
SCHEMBL13087303 0.81 ROCK2 (0.46) ROCK2PRKCZPRKD2GPR6CYP11B2

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 ROCK2 1065/4885DGAT2 3474/4885PRKCZ 272/4885

“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.