SCHEMBL5116695

SCHEMBL5116695

CC(C)C(N)c1nc2nccnc2c(=O)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.51
KDM4E B2RXH2 3/20 0.47
PIK3C2A O00443 9/20 0.43
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PIK3C2B O00750 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BRD4 O60885 1/20 0.38
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
RGS12 O14924 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL14367272 0.86 PDE4A (0.57) KIF11KDM4EPDE4APDE4BPDE4C
SCHEMBL14522636 0.86 PDE4A (0.57) KIF11KDM4EPDE4APDE4BPDE4C
SCHEMBL5106703 0.86 KIF11 (0.49) KIF11KDM4EPIK3C2APDE4APDE4B
SCHEMBL5120055 0.85 KIF11 (0.39) KIF11KDM4EPDE4APDE4BPDE4C
SCHEMBL5118726 0.78 PDE4A (0.50) KIF11KDM4EPIK3C2APDE4APDE4B
SCHEMBL4365755 0.78 TLR7 (0.46) KIF11KDM4EMAPTGAANPSR1
SCHEMBL4367588 0.78 TLR7 (0.46) KIF11KDM4EMAPTGAANPSR1
SCHEMBL5118303 0.75 ALDH1A1 (0.43) KIF11KDM4EPDE4APDE4BPDE4C
SCHEMBL4365111 0.75 HPGD (0.48) KDM4EMAPTGAANPSR1KMT2A
SCHEMBL5489353 0.74 ALDH1A1 (0.45) KIF11KDM4EPDE4APDE4BPDE4C

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 KIF11 427/4885KDM4E 1421/4885PIK3C2A 613/4885

“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.