SCHEMBL13087361

SCHEMBL13087361

CS(=O)(=O)N1CCC(Nc2cc(-c3cccc(C#N)c3)cc3ccncc23)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.46
IRAK1 P51617 2/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
NPY5R Q15761 1/20 0.39
PRKCZ Q05513 4/20 0.39
PRKD2 Q9BZL6 4/20 0.39
EIF2AK4 Q9P2K8 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
MCHR1 Q99705 1/20 0.38
IDO1 P14902 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL13087305 1.00 ROCK2 (0.46) ROCK2IRAK1JAK2JAK1CCNT1
SCHEMBL2424533 0.95 ROCK2 (0.43) ROCK2IRAK1CCNT1CDK9NPY5R
SCHEMBL13087334 0.93 ROCK2 (0.41) ROCK2CCNT1CDK9PRKCZPRKD2
SCHEMBL13087712 0.89 ROCK2 (0.45) ROCK2JAK2JAK1PRKCZPRKD2
SCHEMBL13089969 0.88 ROCK2 (0.43) ROCK2JAK2JAK1PRKCZPRKD2
SCHEMBL13087706 0.87 ROCK2 (0.42) ROCK2JAK2JAK1PRKCZPRKD2
SCHEMBL13087249 0.87 ROCK2 (0.42) ROCK2JAK2JAK1CCNT1CDK9
SCHEMBL13087843 0.87 ROCK2 (0.42) ROCK2JAK2JAK1PRKCZPRKD2
SCHEMBL13087153 0.85 CCR6 (0.51) ROCK2JAK2JAK1PRKCZPRKD2
SCHEMBL13090008 0.85 CCR6 (0.51) ROCK2

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 1065/4885IRAK1 9/4885JAK2 20/4885

“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.