SCHEMBL13087249

SCHEMBL13087249

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.42
PRKCZ Q05513 5/20 0.38
PRKD2 Q9BZL6 4/20 0.38
IKBKB O14920 2/20 0.37
CHUK O15111 2/20 0.37
DGAT2 Q96PD7 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SCN9A Q15858 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
MCHR1 Q99705 1/20 0.35
BRD4 O60885 1/20 0.35
CYP1A2 P05177 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
SCHEMBL13087334 0.92 ROCK2 (0.41) ROCK2PRKCZPRKD2DGAT2CYP11B1
SCHEMBL13087684 0.92 ROCK2 (0.39) ROCK2PRKCZPRKD2DGAT2CYP11B1
SCHEMBL13087712 0.91 ROCK2 (0.45) ROCK2PRKCZPRKD2IKBKBCHUK
SCHEMBL13087843 0.89 ROCK2 (0.42) ROCK2PRKCZPRKD2DGAT2CYP11B1
SCHEMBL13087305 0.87 ROCK2 (0.46) ROCK2PRKCZPRKD2JAK2JAK1
SCHEMBL13087361 0.87 ROCK2 (0.46) ROCK2PRKCZPRKD2JAK2JAK1
SCHEMBL2424533 0.85 ROCK2 (0.43) ROCK2PRKCZPRKD2CCNT1CDK9
SCHEMBL13087160 0.84 ROCK2 (0.41) ROCK2PRKCZPRKD2DGAT2BRD4
SCHEMBL13087497 0.84 PIK3CD (0.38) PRKCZPRKD2IKBKBCHUKCYP11B1
SCHEMBL13089969 0.83 ROCK2 (0.43) ROCK2PRKCZPRKD2CYP11B1CYP11B2

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.