SCHEMBL13087402

SCHEMBL13087402

CN1CC(C(=O)N2CCC(Nc3cc(-c4cccc(C#N)c4)cc4ccncc34)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.42
PAX8 Q06710 1/20 0.41
GPR6 P46095 2/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
USP30 Q70CQ3 1/20 0.39
SLC6A7 Q99884 1/20 0.38
DGAT2 Q96PD7 2/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
RORC P51449 2/20 0.38
THRB P10828 1/20 0.38
SYK P43405 1/20 0.38
PRKCZ Q05513 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM5A P29375 1/20 0.37
HDAC1 Q13547 1/20 0.37
MAP4K1 Q92918 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
SCHEMBL13087284 0.93 PAX8 (0.47) ROCK2PAX8GPR6USP30SLC6A7
SCHEMBL2426924 0.92 PAX8 (0.44) ROCK2PAX8GPR6USP30SLC6A7
SCHEMBL13087308 0.90 GPR6 (0.42) ROCK2PAX8GPR6DYRK1ARORC
SCHEMBL15172413 0.89 PRKCZ (0.43) ROCK2PAX8GPR6DGAT2THRB
SCHEMBL2425647 0.89 ROCK2 (0.43) ROCK2GPR6SLC6A7DYRK1ARORC
SCHEMBL13089958 0.88 SLC6A7 (0.48) ROCK2GPR6SLC6A7SYKPRKCZ
SCHEMBL13087519 0.87 SYK (0.47) ROCK2GPR6SLC6A7SYK
SCHEMBL13087240 0.87 ROCK2 (0.46) ROCK2GPR6USP30SLC6A7PRKCZ
SCHEMBL13087303 0.87 ROCK2 (0.46) ROCK2GPR6USP30SLC6A7PRKCZ
SCHEMBL2428040 0.87 ROCK2 (0.43) ROCK2GPR6USP30SLC6A7DGAT2

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 1065/4885PAX8 3841/4885GPR6 2528/4885

“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.