SCHEMBL16448346

SCHEMBL16448346

CCc1nc(-c2ccc(OC)c(F)c2)nc2c1ccn2-c1cccc(OCC(=O)N(C)CC2CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 10/20 0.58
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ PTGIR P43119 2/20 0.34
▸ WDR5 P61964 2/20 0.34
▸ LTC4S Q16873 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL19118056 0.90 PDE4B (0.60) PDE4BGRIN2B
SCHEMBL17784217 0.90 PDE4B (0.60) PDE4BGRIN1GRIN2BPTGIRPTGDR
SCHEMBL17784235 0.85 PDE4B (0.56) PDE4B
SCHEMBL17784207 0.84 PDE4B (0.55) PDE4B
SCHEMBL16447934 0.83 PDE4B (0.54) PDE4B
SCHEMBL17784218 0.83 PDE4B (0.69) PDE4BGRIN1GRIN2BPTGIRWDR5
SCHEMBL17784208 0.83 PDE4B (0.54) PDE4B
SCHEMBL17784228 0.82 PDE4B (0.79) PDE4BPIK3CD
SCHEMBL17784202 0.82 PDE4B (0.53) PDE4B
SCHEMBL16448257 0.82 PDE4B (0.53) PDE4B

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 2/4885GRIN1 4089/4885GRIN2B 4035/4885

“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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