SCHEMBL16446846

SCHEMBL16446846

CCc1nc(-c2ccc(OC)c(F)c2)nc2c1CCN2c1ccc(CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 9/20 0.73
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PDE4D Q08499 3/20 0.39
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ PTGS2 P35354 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ GPR52 Q9Y2T5 4/20 0.35
▸ CRHR1 P34998 1/20 0.35

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
SCHEMBL16446717 0.90 PDE4B (0.75) PDE4BLMNAHPGDTSHRPDE4D
SCHEMBL16447019 0.89 PDE4B (0.82) PDE4BLMNAHPGDTSHRPDE4D
SCHEMBL17784214 0.85 PDE4B (1.00) PDE4BLMNAHPGDTSHRPTGS2
SCHEMBL16446693 0.83 PDE4B (0.64) PDE4BLMNAHPGDTSHRPDE4D
SCHEMBL19119079 0.82 PDE4B (0.71) PDE4BPDE4D
SCHEMBL16446564 0.81 PDE4B (0.64) PDE4BPDE4D
SCHEMBL16446387 0.80 PDE4B (0.61) PDE4BPDE4DPTGS2GPR52
SCHEMBL16446304 0.80 PDE4B (0.67) PDE4BLMNAHPGDTSHRPDE4D
SCHEMBL19118465 0.79 PDE4B (0.66) PDE4BPDE4D
SCHEMBL16446595 0.79 PDE4B (0.66) PDE4BPDE4DPTGS2GPR52

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 2/4885LMNA 2843/4885HPGD 224/4885

“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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