SCHEMBL14250044

SCHEMBL14250044

COc1ccc(C2=NN(C3CCN(C(=O)[C@H](Cc4ccccc4)NC(=O)O)CC3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.60
PDE4B Q07343 16/20 0.60
PDE4A P27815 15/20 0.60
PDE4C Q08493 15/20 0.60

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
SCHEMBL14249813 1.00 PDE4D (0.60) PDE4DPDE4BPDE4APDE4C
SCHEMBL14249899 1.00 PDE4D (0.60) PDE4DPDE4BPDE4APDE4C
SCHEMBL14250216 1.00 PDE4D (0.60) PDE4DPDE4BPDE4APDE4C
SCHEMBL14250471 0.98 PDE4D (0.57) PDE4DPDE4BPDE4APDE4C
SCHEMBL14250192 0.98 PDE4D (0.59) PDE4DPDE4BPDE4APDE4C
SCHEMBL14249806 0.95 PDE4D (0.59) PDE4DPDE4BPDE4APDE4C
SCHEMBL14250174 0.95 PDE4D (0.61) PDE4DPDE4BPDE4APDE4C
SCHEMBL14250231 0.94 PDE4D (0.56) PDE4DPDE4BPDE4APDE4C
SCHEMBL14249756 0.94 PDE4D (0.56) PDE4DPDE4BPDE4APDE4C
SCHEMBL14249891 0.94 PDE4D (0.58) PDE4DPDE4BPDE4APDE4C

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160108049-A1 Novel Phthalazinone-Pyrrolopyrimidinecarboxamide Derivatives PDE4A, PDE4B, PDE5A PDE4D 5/4885PDE4B 2/4885PDE4A 1/4885
US-20140112945-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES PDE4A, PDE4B, PDE5A PDE4D 5/4885PDE4B 2/4885PDE4A 1/4885

“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.