SCHEMBL2425299

SCHEMBL2425299

CC(C)(C)OC(=O)N1CCOC(CN2CCC(Nc3cc(-c4cccc(C#N)c4)cc4ccncc34)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.40
NSD2 O96028 2/20 0.39
EHMT2 Q96KQ7 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
USP30 Q70CQ3 2/20 0.38
PIK3CD O00329 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
DYRK1A Q13627 1/20 0.37
EPHA2 P29317 2/20 0.36
RET P07949 2/20 0.36
BUB1 O43683 1/20 0.35
MET P08581 1/20 0.35
NAMPT P43490 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
SCHEMBL2427804 0.89 ROCK2 (0.43) ROCK2NSD2EHMT2GPR119PIK3CD
SCHEMBL2494550 0.87 GPR119 (0.48) ROCK2NSD2EHMT2GPR119PIK3CD
SCHEMBL2429591 0.85 ROCK2 (0.46) ROCK2MET
SCHEMBL2430099 0.85 IRAK4 (0.45) ROCK2NSD2EHMT2GPR119USP30
SCHEMBL2424970 0.84 ROCK2 (0.39) ROCK2NSD2EHMT2GPR119IRAK4
SCHEMBL2430796 0.83 IRAK4 (0.48) NSD2EHMT2GPR119PIK3CDIRAK4
SCHEMBL2430762 0.81 ROCK2 (0.42) ROCK2NSD2EHMT2RET
SCHEMBL2434116 0.80 ROCK2 (0.44) ROCK2
SCHEMBL13087277 0.80 ROCK2 (0.46) ROCK2NSD2EHMT2
SCHEMBL2425551 0.80 ROCK2 (0.44) ROCK2DYRK1ANAMPT

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.