SCHEMBL2427804

SCHEMBL2427804

CC(C)(C)OC(=O)N1CC(CN2CCC(Nc3cc(-c4cccc(C#N)c4)cc4ccncc34)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.43
NSD2 O96028 2/20 0.41
EHMT2 Q96KQ7 1/20 0.41
GPR119 Q8TDV5 4/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
DYRK1A Q13627 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PIK3CD O00329 1/20 0.38
CYP2C9 P11712 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
KIT P10721 1/20 0.36
CNR1 P21554 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
MCHR1 Q99705 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 0.91 GPR119 (0.48) ROCK2NSD2EHMT2GPR119IRAK4
SCHEMBL2430099 0.90 IRAK4 (0.45) ROCK2NSD2EHMT2GPR119IRAK4
SCHEMBL13087277 0.90 ROCK2 (0.46) ROCK2NSD2EHMT2MEN1KMT2A
SCHEMBL2425299 0.89 ROCK2 (0.40) ROCK2NSD2EHMT2GPR119IRAK4
SCHEMBL2430796 0.87 IRAK4 (0.48) NSD2EHMT2GPR119IRAK4DYRK1A
SCHEMBL2424970 0.85 ROCK2 (0.39) ROCK2NSD2EHMT2GPR119IRAK4
SCHEMBL2430762 0.85 ROCK2 (0.42) ROCK2NSD2EHMT2MCHR1
SCHEMBL2422828 0.82 ROCK2 (0.48) ROCK2MCHR1
SCHEMBL2427691 0.82 ROCK2 (0.48) ROCK2CNR1MCHR1
SCHEMBL2425647 0.81 ROCK2 (0.43) ROCK2NSD2EHMT2IRAK4DYRK1A

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 1065/4885NSD2 1101/4885EHMT2 1933/4885

“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.