SCHEMBL16446217

SCHEMBL16446217

COc1ccc(-c2nc(C)c3ccn(-c4ccc(CC(=O)O)cc4)c3n2)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 7/20 0.65
▸ PDE4D Q08499 3/20 0.46
▸ DGAT1 O75907 4/20 0.39
▸ SOAT1 P35610 3/20 0.39
▸ PTGS2 P35354 2/20 0.38
▸ PIP4K2A P48426 2/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ S1PR1 P21453 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GAA P10253 1/20 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
SCHEMBL16446508 0.90 PDE4B (0.60) PDE4BPDE4DPTGS2PIP4K2APTGS1
SCHEMBL16446938 0.89 PDE4B (0.82) PDE4BPTGS2PIP4K2APTGS1KMO
SCHEMBL16445876 0.86 PDE4B (0.68) PDE4BPDE4DPTGS2PIP4K2APTGS1
SCHEMBL16446337 0.79 PDE4B (1.00) PDE4BPTGS2PIP4K2AKMO
SCHEMBL16446831 0.78 PDE4B (0.53) PDE4BPDE4DDGAT1SOAT1PTGS2
SCHEMBL16446524 0.78 PDE4B (0.79) PDE4BPDE4DPTGS2PTGS1
SCHEMBL17784216 0.78 PDE4B (1.00) PDE4BPDE4DPTGS2PTGS1
SCHEMBL16447006 0.77 PDE4B (0.64) PDE4BPTGS2PTGS1LMNA
SCHEMBL16447005 0.77 PDE4B (0.64) PDE4BPTGS2PTGS1LMNA
SCHEMBL16447024 0.77 PDE4B (0.74) PDE4BPDE4DPTGS2PTGS1

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 8/4885DGAT1 3391/4885

“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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