SCHEMBL16446938

SCHEMBL16446938

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

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 5/20 0.82
▸ RXRA P19793 1/20 0.45
▸ PTK2 Q05397 1/20 0.43
▸ KMO O15229 2/20 0.42
▸ PDE5A O76074 1/20 0.41
▸ SUV39H2 Q9H5I1 1/20 0.41
▸ PTGS2 P35354 2/20 0.40
▸ PIP4K2A P48426 2/20 0.40
▸ TTR P02766 1/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ PTGER4 P35408 1/20 0.39

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
SCHEMBL16445876 0.91 PDE4B (0.68) PDE4BPTK2PTGS2PIP4K2APTGS1
SCHEMBL16446337 0.90 PDE4B (1.00) PDE4BPTK2KMOPDE5ASUV39H2
SCHEMBL16446217 0.89 PDE4B (0.65) PDE4BKMOPTGS2PIP4K2APTGS1
SCHEMBL16447005 0.88 PDE4B (0.64) PDE4BRXRAPTK2PDE5APTGS2
SCHEMBL16447006 0.88 PDE4B (0.64) PDE4BRXRAPTK2PDE5APTGS2
SCHEMBL16446508 0.84 PDE4B (0.60) PDE4BPDE5APTGS2PIP4K2APTGS1
SCHEMBL16446612 0.81 PDE4B (0.84) PDE4BPTK2KMOPTGS2PIP4K2A
SCHEMBL16446637 0.80 PDE4B (0.53) PDE4BRXRAPTK2KMOPTGS2
SCHEMBL16446770 0.79 PDE4B (0.59) PDE4BPTK2PTGS2PTGS1
SCHEMBL16448282 0.76 PDE4B (0.64) PDE4BPTK2PDE5APTGS2PTGS1

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 2/4885RXRA 1887/4885PTK2 4064/4885

“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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