SCHEMBL5111419

SCHEMBL5111419

CCC(CC)C(N)c1nc2nc(Cl)ncc2c(=O)n1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.42
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
CACNA2D1 P54289 1/20 0.39
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 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
SCHEMBL6028568 0.81 PDE1C (0.40) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL5110002 0.75 KIF11 (0.42) KIF11ALDH1A1MEN1KMT2AMAPT
SCHEMBL5111691 0.74 KIF11 (0.37) KIF11POLBLMNAALDH1A1SMN1; SMN2
SCHEMBL14367272 0.72 PDE4A (0.57) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL14522636 0.72 PDE4A (0.57) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL5110435 0.71 LMNA (0.38) KIF11LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL5120055 0.70 KIF11 (0.39) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL5116695 0.68 KIF11 (0.51) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL5561425 0.68 PDE4A (0.60) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL5118303 0.67 ALDH1A1 (0.43) KIF11PDE4APDE4BPDE4CPDE4D

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 427/4885PDE4A 2750/4885PDE4B 2893/4885

“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.