SCHEMBL5120055

SCHEMBL5120055

CC(C)C(N)c1nc2nc(Cl)cnc2c(=O)n1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
BRD4 O60885 3/20 0.37
USP1 O94782 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
RGS12 O14924 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 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
SCHEMBL5116695 0.85 KIF11 (0.51) KIF11TDP1KDM4EMAPTNPSR1
SCHEMBL5107354 0.81 KIF11 (0.35) KIF11TDP1KDM4EMAPTNPSR1
SCHEMBL14522636 0.78 PDE4A (0.57) KIF11KDM4EMAPTNPSR1GAA
SCHEMBL14367272 0.78 PDE4A (0.57) KIF11KDM4EMAPTNPSR1GAA
SCHEMBL4367588 0.75 TLR7 (0.46) KIF11TDP1KDM4EMAPTNPSR1
SCHEMBL4365755 0.75 TLR7 (0.46) KIF11TDP1KDM4EMAPTNPSR1
SCHEMBL5119002 0.74 AAK1 (0.36) KIF11KDM4EBRD4CYP2C9ALDH1A1
SCHEMBL5118303 0.73 ALDH1A1 (0.43) KIF11TDP1KDM4EMAPTNPSR1
SCHEMBL4365111 0.72 HPGD (0.48) KDM4EMAPTNPSR1GAALMNA
SCHEMBL4283747 0.72 KIF11 (0.56) KIF11TDP1LMNACYP2C19ALDH1A1

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 427/4885TDP1 1140/4885KDM4E 1421/4885

“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.