SCHEMBL4498257

SCHEMBL4498257

Cc1ccccc1C(=O)N(CC1CCNCC1)C(c1nn(-c2cc(F)cc(F)c2)c(=O)n1Cc1ccccc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.43
ROCK2 O75116 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
EEF2K O00418 1/20 0.33
PPARG P37231 1/20 0.32
KHK P50053 1/20 0.32
PDE6D O43924 3/20 0.32
MAP1LC3B Q9GZQ8 1/20 0.32
DHODH Q02127 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL4504420 0.89 KIF11 (0.46) KIF11ROCK2EEF2KKHKPDE6D
SCHEMBL4500235 0.89 GHSR (0.35) KIF11ROCK2EEF2K
SCHEMBL4505256 0.84 KIF11 (0.44) KIF11ROCK2EEF2KMAP1LC3BDHODH
SCHEMBL4484483 0.78 KIF11 (0.46) KIF11ROCK2EEF2KKHKMAP1LC3B
SCHEMBL4484748 0.73 KIF11 (0.63) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4493304 0.72 KIF11 (0.60) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4502944 0.71 KIF11 (0.42) KIF11ROCK2MAP1LC3BCYP3A4CYP2C19
SCHEMBL4511153 0.71 KIF11 (0.45) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4500793 0.70 KIF11 (0.42) KIF11ROCK2MAP1LC3BCYP3A4CYP2C19
SCHEMBL4500050 0.70 KIF11 (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476743-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-01-13 US disclosed
EP-1558588-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-11-02 EP disclosed
US-20060189671-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-08-24 US disclosed
EP-1558588-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-08-03 EP disclosed
WO-2004032840-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-04-22 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-20060189671-A1 Compounds, compositions, and methods TK1, TK2, TYMP KIF11 801/4885ROCK2 2250/4885SLC6A2 4356/4885

“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.