SCHEMBL4005950

SCHEMBL4005950

CC(C)(C)OC(=O)N1CCCC(Oc2ccc3c(Cl)nccc3c2)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.51
ROCK1 Q13464 2/20 0.45
ROCK2 O75116 1/20 0.45
KCNH2 Q12809 1/20 0.45
GPR119 Q8TDV5 1/20 0.42
POLB P06746 1/20 0.41
PIK3CD O00329 5/20 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
PRMT5 O14744 2/20 0.40

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
SCHEMBL26928520 0.90 POLB (0.43) CHEK2ROCK1GPR119POLBPIK3CD
SCHEMBL4008769 0.89 ROCK1 (0.56) CHEK2ROCK1ROCK2KCNH2GPR119
SCHEMBL2507446 0.88 GPR119 (0.51) CHEK2ROCK1GPR119POLBPDE4B
SCHEMBL4966168 0.87 ROCK1 (0.52) CHEK2ROCK1ROCK2KCNH2
SCHEMBL190408 0.84 CHEK2 (0.51) CHEK2GPR119PIK3CDPIK3CAPIK3CB
SCHEMBL4005989 0.83 CHEK2 (0.46) CHEK2ROCK1ROCK2KCNH2GPR119
SCHEMBL4005985 0.83 CHEK2 (0.46) CHEK2ROCK1ROCK2KCNH2GPR119
SCHEMBL18318826 0.81 CHEK2 (0.51) CHEK2GPR119POLBPIK3CDPIK3CA
SCHEMBL20281697 0.81 CHEK2 (0.51) CHEK2GPR119PIK3CDPIK3CAPIK3CB
SCHEMBL21999105 0.80 CHEK2 (0.53) 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 6 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
EP-1963304-A1 ISOQUINOLINE DERIVATIVES N.V. Organon (NL) 2008-09-03 EP disclosed
WO-2007065916-A1 ISOQUINOLINE DERIVATIVES N.V. ORGANON (NL) 2007-06-14 WO 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 CHEK2 2515/4885ROCK1 1/4885ROCK2 2/4885

“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.