SCHEMBL2104606

SCHEMBL2104606

CNC(=O)N(Cc1ccc(Br)cc1)NC(=O)c1ccc(OC(C)C)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.48
CSNK2A1 P68400 2/20 0.39
RORC P51449 1/20 0.39
KIFC1 Q9BW19 1/20 0.38
ROCK2 O75116 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
SMPD1 P17405 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37
S1PR1 P21453 1/20 0.37
WDR5 P61964 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 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
SCHEMBL13162513 0.90 CENPE (0.55) CENPECSNK2A1RORCKIFC1ROCK2
SCHEMBL2103268 0.88 CENPE (0.56) CENPECSNK2A1RORCKIFC1ROCK2
SCHEMBL2104733 0.86 CENPE (0.56) CENPERORCROCK2MEN1KMT2A
SCHEMBL2103273 0.84 CENPE (0.50) CENPEMEN1KMT2AALDH1A1KDM4E
SCHEMBL4720776 0.84 CENPE (0.44) CENPECSNK2A1RORCKIFC1ROCK2
SCHEMBL14031509 0.83 CENPE (0.50) CENPERORCKIFC1ROCK2MEN1
SCHEMBL4720774 0.81 CENPE (0.47) CENPECSNK2A1RORCKIFC1ROCK2
SCHEMBL2104713 0.80 CENPE (0.48) CENPEMEN1KMT2ASMPD1KDM4E
SCHEMBL2103625 0.80 PTGES (0.48) CENPEMEN1KMT2ASMPD1TSHR
SCHEMBL2101902 0.80 CENPE (0.51) CENPECSNK2A1KIFC1ROCK2MEN1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US claimed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US claimed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 US claimed
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
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-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-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 US disclosed
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 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-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 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 (6 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 CENPE 54/4885CSNK2A1 401/4885RORC 1743/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885CSNK2A1 401/4885RORC 1743/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885CSNK2A1 401/4885RORC 1743/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885CSNK2A1 401/4885RORC 1743/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CENPE 50/4885CSNK2A1 297/4885RORC 1422/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885CSNK2A1 401/4885RORC 1743/4885

“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.