SCHEMBL13626756

SCHEMBL13626756

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 10)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.41
KMO O15229 2/20 0.36
TAS1R3 Q7RTX0 4/20 0.35
TAS1R1 Q7RTX1 4/20 0.35
MAP4K4 O95819 2/20 0.35
MINK1 Q8N4C8 2/20 0.35
PRKCD Q05655 1/20 0.35
KIFC1 Q9BW19 1/20 0.35
S1PR1 P21453 7/20 0.35
S1PR3 Q99500 1/20 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
SCHEMBL5137930 1.00 CENPE (0.41) CENPEKMOTAS1R3TAS1R1MAP4K4
SCHEMBL13625055 0.89 CENPE (0.42) CENPEKMOTAS1R3TAS1R1MAP4K4
SCHEMBL14449824 0.87 CENPE (0.41) CENPEKMOTAS1R3TAS1R1MAP4K4
SCHEMBL5137162 0.87 CENPE (0.41) CENPEKMOTAS1R3TAS1R1MAP4K4
SCHEMBL5137161 0.87 CENPE (0.41) CENPEKMOTAS1R3TAS1R1MAP4K4
SCHEMBL5136274 0.87 CENPE (0.41) CENPEKMOTAS1R3TAS1R1MAP4K4
SCHEMBL3462435 0.85 CENPE (0.54) CENPETAS1R3TAS1R1MAP4K4MINK1
SCHEMBL13161714 0.85 CENPE (0.54) CENPETAS1R3TAS1R1MAP4K4MINK1
SCHEMBL2106389 0.84 CENPE (0.45) CENPEKMOTAS1R3TAS1R1MAP4K4
SCHEMBL2104827 0.82 CENPE (0.44) CENPEKMOTAS1R3TAS1R1MAP4K4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 US disclosed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 54/4885KMO 3507/4885TAS1R3 4827/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KMO 3507/4885TAS1R3 4827/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885KMO 3507/4885TAS1R3 4827/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885KMO 3507/4885TAS1R3 4827/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CENPE 50/4885KMO 3390/4885TAS1R3 4837/4885

“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.