SCHEMBL4501770

SCHEMBL4501770

COc1cccc(-n2nc(C(C(C)C)N(CCCN)C(=O)c3ccc(C)cc3)n(Cc3ccccc3)c2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.58
MAP1LC3B Q9GZQ8 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
KCNH2 Q12809 1/20 0.58
KIF23 Q02241 1/20 0.57
HTT P42858 1/20 0.48

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
SCHEMBL4512291 0.92 KIF11 (0.58) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4493602 0.92 KIF11 (0.61) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4488835 0.92 KIF11 (0.66) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4508702 0.91 KIF11 (0.64) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4499294 0.91 KIF11 (0.60) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4512645 0.91 KIF11 (0.53) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4497720 0.90 KIF11 (0.58) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4487063 0.90 KIF11 (0.64) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4493021 0.88 KIF11 (0.56) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4493637 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 6 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 claimed
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 801/4885MAP1LC3B 1697/4885CYP3A4 2914/4885

“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.