SCHEMBL2430762

SCHEMBL2430762

CC(C)(C)OC(=O)NCCN1CCC(Nc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.42
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
ROCK1 Q13464 1/20 0.39
NSD2 O96028 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
KCNA3 P22001 1/20 0.38
MCHR1 Q99705 2/20 0.38
GBA1 P04062 1/20 0.37
HSP90AA1 P07900 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
DRD2 P14416 2/20 0.37
RET P07949 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
PRKAA2 P54646 1/20 0.36
CCR3 P51677 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
CCNT1 O60563 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
SCHEMBL2494550 0.86 GPR119 (0.48) ROCK2NSD2EHMT2
SCHEMBL2427804 0.85 ROCK2 (0.43) ROCK2NSD2EHMT2MCHR1
SCHEMBL2422015 0.84 ROCK2 (0.49) ROCK2ROCK1JAK1
SCHEMBL2427691 0.82 ROCK2 (0.48) ROCK2ROCK1MCHR1JAK2
SCHEMBL2427707 0.82 ROCK2 (0.49) ROCK2ROCK1JAK1
SCHEMBL2430796 0.82 IRAK4 (0.48) CCNCCDK8NSD2EHMT2CDK9
SCHEMBL2430099 0.82 IRAK4 (0.45) ROCK2CCNCCDK8NSD2EHMT2
SCHEMBL2424970 0.81 ROCK2 (0.39) ROCK2NSD2EHMT2MCHR1HRH3
SCHEMBL2425299 0.81 ROCK2 (0.40) ROCK2NSD2EHMT2RET
SCHEMBL2425647 0.80 ROCK2 (0.43) ROCK2NSD2EHMT2MCHR1JAK2

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
EP-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP 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 1065/4885CCNC 2198/4885CDK8 205/4885

“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.