SCHEMBL13087706

SCHEMBL13087706

CC(C)S(=O)(=O)N1CCC(Nc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.42
PRKCZ Q05513 5/20 0.38
PRKD2 Q9BZL6 4/20 0.38
ROCK1 Q13464 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CNR1 P21554 1/20 0.37
CCR6 P51684 3/20 0.37
MCHR1 Q99705 2/20 0.37
GPR6 P46095 2/20 0.37
BRD4 O60885 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL2424533 0.91 ROCK2 (0.43) ROCK2PRKCZPRKD2CCNA2CDK2
SCHEMBL13087712 0.90 ROCK2 (0.45) ROCK2PRKCZPRKD2ROCK1CCNA2
SCHEMBL13089969 0.89 ROCK2 (0.43) ROCK2PRKCZPRKD2CCNA2CDK2
SCHEMBL13087361 0.87 ROCK2 (0.46) ROCK2PRKCZPRKD2IRAK4MCHR1
SCHEMBL13087305 0.87 ROCK2 (0.46) ROCK2PRKCZPRKD2IRAK4MCHR1
SCHEMBL13087153 0.86 CCR6 (0.51) ROCK2PRKCZPRKD2CCNA2CDK2
SCHEMBL13090008 0.86 CCR6 (0.51) ROCK2CCNA2CDK2CNR1CCR6
SCHEMBL13087245 0.86 CCR6 (0.44) ROCK2CCNA2CDK2CCR6BRD4
SCHEMBL13087792 0.86 PIK3CA (0.42) ROCK2PRKCZPRKD2CCNA2CDK2
SCHEMBL13090042 0.85 CNR1 (0.37) ROCK2PRKCZPRKD2ROCK1CCNA2

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 1065/4885PRKCZ 272/4885PRKD2 49/4885

“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.