SCHEMBL4007252

SCHEMBL4007252

Cc1cc2c(N)nccc2cc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.47
PDE4D Q08499 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
KDM1A O60341 1/20 0.46
GPR119 Q8TDV5 11/20 0.45
CHEK2 O96017 1/20 0.43
PIK3CD O00329 1/20 0.42

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
SCHEMBL4008591 0.89 CHEK2 (0.46) PDE4BCHEK2PIK3CD
SCHEMBL4966723 0.87 ROCK1 (0.44)
SCHEMBL4460693 0.78 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CKDM1A
SCHEMBL20695969 0.78 KDM1A (0.53) PDE4BPDE4DPDE4APDE4CKDM1A
SCHEMBL23359883 0.77 GPR119 (0.49) PDE4BPDE4DPDE4APDE4CKDM1A
SCHEMBL29862967 0.77 GPR119 (0.49) PDE4BPDE4DPDE4APDE4CKDM1A
SCHEMBL3717757 0.77 KDM1A (0.51) PDE4BPDE4DPDE4APDE4CKDM1A
SCHEMBL4114220 0.77 GPR119 (0.53) PDE4BPDE4DPDE4APDE4CKDM1A
SCHEMBL1205041 0.76 ROCK1 (0.46)
SCHEMBL12879225 0.76 ROCK1 (0.46)

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 PDE4B 646/4885PDE4D 838/4885PDE4A 397/4885

“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.