SCHEMBL16447027

SCHEMBL16447027

COc1ccc(-c2nc(S(C)(=O)=O)c3ccn(-c4ccc(CC(=O)OC(C)(C)C)cc4)c3n2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 8/20 0.61
▸ PTGS1 P23219 5/20 0.41
▸ PTGS2 P35354 5/20 0.41
▸ MTNR1A P48039 2/20 0.37
▸ MTNR1B P49286 2/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ RIPK3 Q9Y572 1/20 0.37
▸ PDE4D Q08499 3/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL16447024 0.89 PDE4B (0.74) PDE4BPTGS1PTGS2PDE4DPI4KB
SCHEMBL16446574 0.86 PDE4B (0.80) PDE4BPTGS1PTGS2MTNR1AMTNR1B
SCHEMBL16446524 0.76 PDE4B (0.79) PDE4BPTGS1PTGS2PDE4D
SCHEMBL17784206 0.76 PDE4B (0.79) PDE4BPTGS1PTGS2PI4KB
SCHEMBL17784216 0.75 PDE4B (1.00) PDE4BPTGS1PTGS2PDE4D
SCHEMBL17784219 0.72 PDE4B (0.59) PDE4BPTGS1PTGS2PDE4DPI4KB
SCHEMBL16447005 0.71 PDE4B (0.64) PDE4BPTGS1PTGS2
SCHEMBL16447006 0.71 PDE4B (0.64) PDE4BPTGS1PTGS2
SCHEMBL16448282 0.71 PDE4B (0.64) PDE4BPTGS1PTGS2
SCHEMBL16446770 0.71 PDE4B (0.59) PDE4BPTGS1PTGS2PDE4D

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 2/4885PTGS1 338/4885PTGS2 599/4885

“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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