SCHEMBL4533965

SCHEMBL4533965

COc1ccc(C2=NC(C)(C)CN2C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.41
MAP1LC3B Q9GZQ8 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCC1 P33527 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
SCHEMBL4524816 0.91 EGFR (0.43) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4528790 0.91 KIF11 (0.45) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4530309 0.89 KIF11 (0.42) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4517621 0.89 KIF11 (0.43) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4518681 0.89 KIF11 (0.44) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4514039 0.88 KIF11 (0.50) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4518654 0.88 KIF11 (0.43) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4520991 0.88 KIF11 (0.45) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5864191 0.88 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL4523770 0.88 KIF11 (0.44) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

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-7528137-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-05-05 US disclosed
US-7214800-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2007-05-08 US disclosed
EP-1553931-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-08-30 EP disclosed
US-20060094735-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-04 US disclosed
EP-1553931-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-20 EP disclosed
US-20040077668-A1 Compounds, compositins, and methods CYTOKINETICS, INC. 2004-04-22 US disclosed
WO-2003097053-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-11-27 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 (2 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-20040077668-A1 Compounds, compositins, and methods CEP170, PSAP, PACSIN2 KIF11 1233/4885MAP1LC3B 1225/4885CYP3A4 4624/4885
US-20060094735-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 KIF11 562/4885MAP1LC3B 1330/4885CYP3A4 4722/4885

“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.