SCHEMBL2617121

SCHEMBL2617121

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.79
KIFC1 Q9BW19 1/20 0.53
CTSB P07858 4/20 0.44
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
WDR5 P61964 1/20 0.44
KMT2A Q03164 1/20 0.44
TAS1R3 Q7RTX0 4/20 0.43
TAS1R1 Q7RTX1 4/20 0.43
TOP2A P11388 1/20 0.43
KLKB1 P03952 1/20 0.42
RORC P51449 1/20 0.42
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
CSNK2A1 P68400 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40

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
SCHEMBL2617156 1.00 CENPE (0.79) CENPEKIFC1CTSBCTSLCTSS
SCHEMBL2617174 0.91 CENPE (0.83) CENPEKIFC1CTSBKMT2ATAS1R3
SCHEMBL2617210 0.91 CENPE (0.80) CENPEKIFC1CTSBCTSLCTSS
SCHEMBL2630519 0.91 CENPE (0.83) CENPEKIFC1CTSBKMT2ATAS1R3
SCHEMBL2630521 0.91 CENPE (0.80) CENPEKIFC1CTSBCTSLCTSS
SCHEMBL14531610 0.91 CENPE (0.80) CENPEKIFC1CTSBTAS1R3TAS1R1
SCHEMBL2617163 0.90 CENPE (0.76) CENPEKIFC1CTSBWDR5KMT2A
SCHEMBL14531600 0.90 CENPE (0.65) CENPEKIFC1CTSBCTSLCTSS
SCHEMBL2617127 0.90 CENPE (0.79) CENPEKIFC1CTSBTAS1R3TAS1R1
SCHEMBL13162311 0.90 CENPE (0.79) CENPEKIFC1CTSBTAS1R3TAS1R1

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 30 patents — showing the first 20. 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-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-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 US disclosed
US-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 US disclosed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US disclosed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 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-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 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
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS 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 (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 54/4885KIFC1 4/4885CTSB 2225/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885CTSB 2225/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885CTSB 2225/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CENPE 50/4885KIFC1 5/4885CTSB 2122/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885CTSB 2225/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885CTSB 2225/4885

“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.