SCHEMBL16446524

SCHEMBL16446524

CCc1nc(-c2ccc(OC)c(F)c2)nc2c1ccn2-c1ccc(CC(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 16/20 0.79
▸ PDE4D Q08499 8/20 0.45
▸ PTGS1 P23219 2/20 0.37
▸ PTGS2 P35354 2/20 0.37

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
SCHEMBL16448282 0.90 PDE4B (0.64) PDE4BPTGS1PTGS2
SCHEMBL17784216 0.89 PDE4B (1.00) PDE4BPDE4DPTGS1PTGS2
SCHEMBL16447024 0.86 PDE4B (0.74) PDE4BPDE4DPTGS1PTGS2
SCHEMBL17784235 0.79 PDE4B (0.56) PDE4B
SCHEMBL16446217 0.78 PDE4B (0.65) PDE4BPDE4DPTGS1PTGS2
SCHEMBL19118056 0.78 PDE4B (0.60) PDE4B
SCHEMBL16446574 0.78 PDE4B (0.80) PDE4BPDE4DPTGS1PTGS2
SCHEMBL16447019 0.78 PDE4B (0.82) PDE4BPDE4D
SCHEMBL16447005 0.78 PDE4B (0.64) PDE4BPTGS1PTGS2
SCHEMBL16447006 0.78 PDE4B (0.64) PDE4BPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030565-B1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-07-19 — — EP disclosed
US-9688683-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-27 — — US disclosed
EP-3030565-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-06-15 — — EP disclosed
US-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-06-02 — — US disclosed
WO-2015018534-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-02-12 — — WO 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-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS PDE4A, PDE4B, TYMP PDE4B 2/4885PDE4D 8/4885PTGS1 338/4885

“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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