SCHEMBL4008769

SCHEMBL4008769

CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc3c(N)nccc3c2)C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.56
ROCK2 O75116 2/20 0.56
KCNH2 Q12809 2/20 0.56
CHEK2 O96017 2/20 0.53
GPR119 Q8TDV5 1/20 0.42
PIK3CD O00329 4/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
PDE4B Q07343 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL4005950 0.89 CHEK2 (0.51) ROCK1ROCK2KCNH2CHEK2GPR119
SCHEMBL4965662 0.86 ROCK1 (0.64) ROCK1ROCK2KCNH2CHEK2
SCHEMBL4008591 0.85 CHEK2 (0.46) ROCK1ROCK2KCNH2CHEK2PIK3CD
SCHEMBL21999105 0.84 CHEK2 (0.53) CHEK2GPR119PIK3CDPIK3CAPIK3CB
SCHEMBL4005989 0.83 CHEK2 (0.46) ROCK1ROCK2KCNH2CHEK2GPR119
SCHEMBL4005985 0.83 CHEK2 (0.46) ROCK1ROCK2KCNH2CHEK2GPR119
SCHEMBL20281697 0.81 CHEK2 (0.51) CHEK2GPR119PIK3CDPIK3CAPIK3CB
SCHEMBL4002580 0.80 BTK (0.46) USP30
SCHEMBL4358976 0.80 CHEK2 (0.59) CHEK2GPR119PIK3CDPDE4BUSP30
SCHEMBL190408 0.80 CHEK2 (0.51) CHEK2GPR119PIK3CDPIK3CAPIK3CB

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-1963304-B2 ISOQUINOLINE DERIVATIVES MSD OSS BV (NL) 2015-05-13 EP disclosed
US-7618985-B2 Isoquinoline derivatives N.V. ORGANON (NL) 2009-11-17 US disclosed
EP-1963304-B1 ISOQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-06-24 EP disclosed
US-20070135479-A1 Isoquinoline derivatives N.V. ORGANON (NL) 2007-06-14 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-20070135479-A1 Isoquinoline derivatives ROCK1, ROCK2, RHOA ROCK1 1/4885ROCK2 2/4885KCNH2 343/4885

“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.