SCHEMBL3463108

SCHEMBL3463108

CCCCc1nc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)cn1CCO

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.65
S1PR1 P21453 10/20 0.39
S1PR5 Q9H228 5/20 0.37
S1PR3 Q99500 3/20 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
SCHEMBL3461735 0.95 CENPE (0.63) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL3461278 0.95 CENPE (0.66) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL4794305 0.93 CENPE (0.67) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL3462363 0.86 CENPE (0.62) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL2104363 0.86 CENPE (0.68) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL2103780 0.86 CENPE (0.68) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL13430570 0.86 CENPE (0.67) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL2617441 0.86 CENPE (0.67) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL4529602 0.86 CENPE (0.70) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL3461303 0.85 CENPE (0.57) CENPES1PR1S1PR5S1PR3

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 2 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
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US 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.