SCHEMBL5107451

SCHEMBL5107451

CC(C)C(NCCCNC(=O)OC(C)(C)C)c1nc2ccncc2c(=O)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
CYP3A4 P08684 2/20 0.41
AAK1 Q2M2I8 1/20 0.39
TLR7 Q9NYK1 4/20 0.38
LATS1 O95835 2/20 0.38
BRD4 O60885 2/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
KCNH2 Q12809 1/20 0.37
GNRHR P30968 1/20 0.37
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
STING1 Q86WV6 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL4102093 0.88 KIF11 (0.46) KIF11CYP3A4TLR7BRD4KCNH2
SCHEMBL5647214 0.86 KIF11 (0.48) KIF11CYP3A4BRD4KCNH2TDP1
SCHEMBL5650348 0.86 KIF11 (0.48) KIF11CYP3A4BRD4KCNH2TDP1
SCHEMBL13956802 0.84 KIF11 (0.46) KIF11TLR7BRD4GNRHRSIGMAR1
SCHEMBL3492752 0.84 BRD4 (0.47) KIF11TLR7BRD4GNRHR
SCHEMBL3496753 0.84 BRD4 (0.47) KIF11TLR7BRD4GNRHR
SCHEMBL4096829 0.83 KIF11 (0.44) KIF11TLR7BRD4GNRHRTDP1
SCHEMBL5112019 0.83 KIF11 (0.43) KIF11CYP3A4TLR7GNRHRTDP1
SCHEMBL4091503 0.82 TP53 (0.45) KIF11TLR7
SCHEMBL4091501 0.82 TP53 (0.45) KIF11TLR7

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 427/4885CYP3A4 4536/4885AAK1 3056/4885

“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.