SCHEMBL17313517

SCHEMBL17313517

COc1ccc(-c2nc3c(c(Nc4ccc(CC(=O)O)cc4)n2)CCC3)cc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.77
▸ PDE4D Q08499 14/20 0.73

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
SCHEMBL17313511 0.90 PDE4B (0.74) PDE4BPDE4D
SCHEMBL17313494 0.87 PDE4B (0.73) PDE4BPDE4D
SCHEMBL17313524 0.87 PDE4B (0.73) PDE4BPDE4D
SCHEMBL17313495 0.87 PDE4B (1.00) PDE4BPDE4D
SCHEMBL17313512 0.87 PDE4B (0.82) PDE4BPDE4D
SCHEMBL17313509 0.87 PDE4B (0.82) PDE4BPDE4D
SCHEMBL18924224 0.85 PDE4B (0.98) PDE4BPDE4D
SCHEMBL17313521 0.85 PDE4B (0.76) PDE4BPDE4D
SCHEMBL17313523 0.85 PDE4B (0.76) PDE4BPDE4D
SCHEMBL17313519 0.82 PDE4B (0.74) PDE4BPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505724-B2 4-amino substituted condensed pyrimidine compounds as PDE4 inhibitors Grünenthal GmbH (DE) 2016-11-29 — — US disclosed
US-20150353507-A1 4-AMINO SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS AS PDE4 INHIBITORS Grünenthal GmbH (DE) 2015-12-10 — — 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-20150353507-A1 4-AMINO SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 PDE4B 2/4885PDE4D 6/4885

“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.

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