SCHEMBL3461499

SCHEMBL3461499

CC(C)Oc1ccc(C(=O)NC(Cc2ccc(-c3cn4cccc(Br)c4n3)cc2)CN2CCNC2=O)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.58
KIFC1 Q9BW19 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
WDR5 P61964 2/20 0.35
P2RX3 P56373 3/20 0.34
S1PR1 P21453 6/20 0.34
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
PPARG P37231 1/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1A3 P47895 1/20 0.33
S1PR3 Q99500 2/20 0.32
S1PR5 Q9H228 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL13625070 1.00 CENPE (0.58) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL2104705 0.96 CENPE (0.57) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL2103859 0.96 CENPE (0.57) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL3462224 0.87 CENPE (0.64) CENPEALDH1A1KDM4EMAPTHPGD
SCHEMBL13161522 0.87 CENPE (0.64) CENPEALDH1A1KDM4EMAPTHPGD
SCHEMBL2104390 0.86 CENPE (0.65) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL4761956 0.86 CENPE (0.65) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL2105538 0.86 CENPE (0.60) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL4553500 0.86 CENPE (0.60) CENPEKIFC1ALDH1A1KDM4EMAPT
SCHEMBL3462432 0.85 CENPE (0.69) CENPEKIFC1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-7618981-B2 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INC. (US) 2009-11-17 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-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-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
CN-101023057-A Certain chemicals, compositions, and methods CYTOKINETICS INC (US) 2007-08-22 CN disclosed
US-20060094708-A1 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INCORPORATED 2006-05-04 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-20060094708-A1 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide KIF5B, KIF18A, KIF2C CENPE 522/4885KIFC1 9/4885ALDH1A1 1729/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885ALDH1A1 2159/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885ALDH1A1 2159/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885ALDH1A1 2159/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CENPE 50/4885KIFC1 5/4885ALDH1A1 1977/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885ALDH1A1 2159/4885

“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.