SCHEMBL5118726

SCHEMBL5118726

CC(C)Cc1nc2nccnc2c(=O)n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
KDM4E B2RXH2 1/20 0.49
PIK3C2A O00443 7/20 0.45
KIF11 P52732 1/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
PIK3C2B O00750 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL14367275 0.85 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DKIF11
SCHEMBL5106687 0.84 LMNA (0.50) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4098315 0.82 LMNA (0.48) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5119264 0.78 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5108726 0.78 MEN1 (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5106703 0.78 KIF11 (0.49) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5116695 0.78 KIF11 (0.51) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5105792 0.77 CYP1A2 (0.50) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5120052 0.77 CYP1A2 (0.53) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5111971 0.74 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332498-B2 Modulation of KSP kinesin activity with heterocyclic-fused pyrimidinone derivatives CYTOKINETICS, INC. (US) 2008-02-19 US disclosed
EP-1513820-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-09-13 EP disclosed
US-20060111374-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-25 US disclosed
US-7038048-B2 3H-pyridopyrimidin-4-one compounds, compositions, and methods of their use CYTOKINETICS, INC. (US) 2006-05-02 US disclosed
EP-1513820-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-03-16 EP disclosed
US-20040116438-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2004-06-17 US disclosed
WO-2003103575-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-12-18 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-20060111374-A1 Compounds, compositions, and methods ALPP, MKI67, PCNA PDE4A 2750/4885PDE4B 2893/4885PDE4C 2531/4885

“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.