SCHEMBL3461278

SCHEMBL3461278

CCCCc1nc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)cn1CC

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.66
S1PR1 P21453 10/20 0.40
S1PR5 Q9H228 5/20 0.37
S1PR3 Q99500 3/20 0.37
SPNS2 Q8IVW8 1/20 0.37
XDH P47989 2/20 0.35

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
SCHEMBL3463108 0.95 CENPE (0.65) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL3461735 0.93 CENPE (0.63) CENPES1PR1S1PR5S1PR3SPNS2
SCHEMBL4794305 0.92 CENPE (0.67) CENPES1PR1S1PR5S1PR3SPNS2
SCHEMBL3461702 0.88 CENPE (0.69) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL13161463 0.88 CENPE (0.69) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL4441782 0.87 CENPE (0.68) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL13161504 0.87 CENPE (0.68) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL3463009 0.86 CENPE (0.67) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL13161524 0.86 CENPE (0.66) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL3462351 0.86 CENPE (0.66) CENPES1PR1S1PR5S1PR3XDH

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-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 US disclosed
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP disclosed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 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-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885S1PR1 2943/4885S1PR5 3427/4885

“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.