SCHEMBL4009155

SCHEMBL4009155

CC(C)(C)OC(=O)N1CCCC(Oc2ccc3c(=O)[nH]cc(Br)c3c2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.48
ROCK1 Q13464 1/20 0.43
USP30 Q70CQ3 2/20 0.42
GPR119 Q8TDV5 4/20 0.41
PDE4B Q07343 1/20 0.40
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
ALK Q9UM73 1/20 0.38
FPR2 P25090 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL4009152 1.00 CHEK2 (0.48) CHEK2ROCK1USP30GPR119PDE4B
SCHEMBL4007663 0.90 ROCK1 (0.56) CHEK2ROCK1USP30GPR119PDE4B
SCHEMBL4007667 0.90 ROCK1 (0.56) CHEK2ROCK1USP30GPR119PDE4B
SCHEMBL4968833 0.86 ROCK1 (0.45) CHEK2ROCK1MTNR1AMTNR1B
SCHEMBL4968824 0.86 ROCK1 (0.45) CHEK2ROCK1MTNR1AMTNR1B
SCHEMBL4007388 0.83 ROCK1 (0.53) CHEK2ROCK1USP30GPR119PDE4B
SCHEMBL4007383 0.83 ROCK1 (0.53) CHEK2ROCK1USP30GPR119PDE4B
SCHEMBL29964707 0.79 CHEK2 (0.55) CHEK2USP30GPR119PDE4BFPR2
SCHEMBL29964863 0.79 CHEK2 (0.55) CHEK2USP30GPR119PDE4BFPR2
SCHEMBL4980452 0.77 ROCK1 (0.61) CHEK2ROCK1MTNR1AMTNR1B

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 CHEK2 2515/4885ROCK1 1/4885USP30 2577/4885

“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.