SCHEMBL3451228

SCHEMBL3451228

COc1ccc(C2=NN(C3CCNCC3)C(=O)C(C)(C)C2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.64
PDE4A P27815 7/20 0.64
PDE4C Q08493 7/20 0.64
PDE4D Q08499 7/20 0.64

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
Hydrochloric Acid SCHEMBL14250043 0.99 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL14250183 0.86 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL3451257 0.85 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL14249933 0.85 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL184710 0.82 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL3453010 0.82 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL183829 0.81 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL14251185 0.80 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL6031463 0.80 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL2325231 0.80 PDE4B (0.68) PDE4BPDE4APDE4CPDE4D

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108049-A1 Novel Phthalazinone-Pyrrolopyrimidinecarboxamide Derivatives ASTRAZENECA AB (SE) 2016-04-21 US disclosed
EP-2721030-B1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES TAKEDA GMBH (DE) 2015-12-16 EP disclosed
US-20140112945-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES TAKEDA GMBH (DE) 2014-04-24 US disclosed
EP-2721030-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES Takeda GmbH (DE) 2014-04-23 EP disclosed
WO-2012171900-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES NYCOMED GMBH (DE) 2012-12-20 WO disclosed
US-7820669-B2 2-(piperidin-4-yl)-4,5-dihydro-2H-pyridazin-3-one derivatives as PDE4 inhibitors NYCOMED GMBH (DE) 2010-10-26 US disclosed
US-20090131448-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors NYCOMED GMBH (DE) 2009-05-21 US disclosed
US-7494990-B2 2-(piperidin-4-yl)-4,5-dihydro-2H-pyridazin-3-one derivatives as PDE4 inhibitors NYCOMED GMBH (DE) 2009-02-24 US disclosed
EP-1716133-B1 2-(PIPERIDIN-4-YL)-4,5-DIHYDRO-2H-PYRIDAZIN-3-ONE DERIVATIVES AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2008-03-26 EP disclosed
US-20070179146-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors ATLANTA PHARMA AG (DE) 2007-08-02 US 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 (4 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-20090131448-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4A 1/4885PDE4C 4/4885
US-20070179146-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4A 1/4885PDE4C 4/4885
US-20160108049-A1 Novel Phthalazinone-Pyrrolopyrimidinecarboxamide Derivatives PDE4A, PDE4B, PDE5A PDE4B 2/4885PDE4A 1/4885PDE4C 4/4885
US-20140112945-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES PDE4A, PDE4B, PDE5A PDE4B 2/4885PDE4A 1/4885PDE4C 4/4885

“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.