SCHEMBL5136274

SCHEMBL5136274

CC(C)Oc1ccc(C(=O)NC(CCO)C(=O)c2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.41
KIFC1 Q9BW19 1/20 0.39
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
S1PR1 P21453 7/20 0.36
KMO O15229 2/20 0.35
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
P2RX3 P56373 2/20 0.34

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
SCHEMBL5137162 1.00 CENPE (0.41) CENPEKIFC1TAS1R3TAS1R1S1PR1
SCHEMBL5137161 1.00 CENPE (0.41) CENPEKIFC1TAS1R3TAS1R1S1PR1
SCHEMBL3462435 0.87 CENPE (0.54) CENPEKIFC1TAS1R3TAS1R1S1PR1
SCHEMBL13161714 0.87 CENPE (0.54) CENPEKIFC1TAS1R3TAS1R1S1PR1
SCHEMBL5137930 0.87 CENPE (0.41) CENPEKIFC1TAS1R3TAS1R1S1PR1
SCHEMBL13626756 0.87 CENPE (0.41) CENPEKIFC1TAS1R3TAS1R1S1PR1
SCHEMBL14449823 0.86 CENPE (0.41) CENPEKIFC1TAS1R3TAS1R1S1PR1
SCHEMBL2106389 0.84 CENPE (0.45) CENPEKIFC1TAS1R3TAS1R1S1PR1
SCHEMBL2104827 0.84 CENPE (0.44) CENPEKIFC1TAS1R3TAS1R1S1PR1
SCHEMBL2104376 0.83 CENPE (0.43) CENPEKIFC1TAS1R3TAS1R1S1PR1

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
EP-1942899-A2 MITOTIC KINESIN INHIBITORS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070197640-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070197640-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070197640-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
WO-2007056056-A2 MITOTIC KINESIN INHIBITORS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
WO-2007056056-A2 MITOTIC KINESIN INHIBITORS CYTOKINETICS, INC. (US) 2007-05-18 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-20070197640-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885TAS1R3 4827/4885

“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.