SCHEMBL13089944

SCHEMBL13089944

N#Cc1cccc(-c2cc(NC3CCN(S(=O)(=S)c4ccccc4)CC3)c3cnccc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 3/20 0.42
ROCK2 O75116 2/20 0.41
PRKCZ Q05513 5/20 0.40
PRKD2 Q9BZL6 4/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
BRD4 O60885 1/20 0.36
GPR6 P46095 2/20 0.36
ACLY P53396 1/20 0.36
SFRP1 Q8N474 1/20 0.36
DGAT2 Q96PD7 1/20 0.36

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
SCHEMBL13087153 0.92 CCR6 (0.51) CCR6ROCK2PRKCZPRKD2JAK2
SCHEMBL13087245 0.88 CCR6 (0.44) CCR6ROCK2JAK2JAK1CCNA2
SCHEMBL13089969 0.87 ROCK2 (0.43) CCR6ROCK2PRKCZPRKD2JAK2
SCHEMBL2424533 0.87 ROCK2 (0.43) CCR6ROCK2PRKCZPRKD2CCNA2
SCHEMBL13090008 0.87 CCR6 (0.51) CCR6ROCK2CCNA2CDK2CYP11B1
SCHEMBL13087712 0.86 ROCK2 (0.45) CCR6ROCK2PRKCZPRKD2JAK2
SCHEMBL13087296 0.86 ROCK2 (0.46) CCR6ROCK2PRKCZPRKD2
SCHEMBL13087706 0.85 ROCK2 (0.42) CCR6ROCK2PRKCZPRKD2JAK2
SCHEMBL13087793 0.85 CDK2 (0.44) CCR6ROCK2PRKCZPRKD2JAK2
SCHEMBL13087792 0.84 PIK3CA (0.42) CCR6ROCK2PRKCZPRKD2CCNA2

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 CCR6 3313/4885ROCK2 1065/4885PRKCZ 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.