SCHEMBL13087334

SCHEMBL13087334

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
PRKCZ Q05513 5/20 0.39
PRKD2 Q9BZL6 4/20 0.39
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
SCN9A Q15858 1/20 0.36
DGAT2 Q96PD7 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CYP17A1 P05093 1/20 0.35
MCHR1 Q99705 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
NEK1 Q96PY6 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 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
SCHEMBL13087361 0.93 ROCK2 (0.46) ROCK2CCNT1CDK9PRKCZPRKD2
SCHEMBL13087305 0.93 ROCK2 (0.46) ROCK2CCNT1CDK9PRKCZPRKD2
SCHEMBL13087249 0.92 ROCK2 (0.42) ROCK2CCNT1CDK9PRKCZPRKD2
SCHEMBL2424533 0.91 ROCK2 (0.43) ROCK2CCNT1CDK9PRKCZPRKD2
SCHEMBL13087843 0.90 ROCK2 (0.42) ROCK2PRKCZPRKD2CYP11B1CYP11B2
SCHEMBL13087684 0.87 ROCK2 (0.39) ROCK2CCNT1CDK9PRKCZPRKD2
SCHEMBL13087160 0.85 ROCK2 (0.41) ROCK2PRKCZPRKD2DGAT2NEK1
SCHEMBL13087712 0.85 ROCK2 (0.45) ROCK2PRKCZPRKD2CYP11B1CYP11B2
SCHEMBL13089969 0.84 ROCK2 (0.43) ROCK2PRKCZPRKD2CYP11B1CYP11B2
SCHEMBL13087397 0.84 SCN9A (0.38) PRKCZPRKD2SCN9AIRAK4BACE1

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 1065/4885CCNT1 727/4885CDK9 1157/4885

“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.