SCHEMBL2103709

SCHEMBL2103709

CC(C)Oc1ccc(C(=O)NC(CCO)Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2F)cc1C#N

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.56
XDH P47989 6/20 0.36
S1PR1 P21453 6/20 0.36
S1PR3 Q99500 2/20 0.36
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
KDM1A O60341 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL13161513 1.00 CENPE (0.56) CENPEXDHS1PR1S1PR3HSD17B1
SCHEMBL2104376 0.89 CENPE (0.43) CENPES1PR1
SCHEMBL13161584 0.89 CENPE (0.69) CENPEXDHS1PR1S1PR3S1PR5
SCHEMBL3462817 0.89 CENPE (0.69) CENPEXDHS1PR1S1PR3S1PR5
SCHEMBL13161662 0.86 CENPE (0.52) CENPEXDHS1PR1S1PR3
SCHEMBL3462393 0.86 CENPE (0.52) CENPEXDHS1PR1S1PR3
SCHEMBL13161696 0.85 CENPE (0.69) CENPEXDHS1PR1S1PR3S1PR5
SCHEMBL3462107 0.85 CENPE (0.69) CENPEXDHS1PR1S1PR3S1PR5
SCHEMBL13161721 0.84 CENPE (0.68) CENPEXDHS1PR1S1PR3S1PR5
SCHEMBL3462596 0.84 CENPE (0.68) CENPEXDHS1PR1S1PR3S1PR5

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 12 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-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-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-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 US 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 (7 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 522/4885XDH 4868/4885S1PR1 2246/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885XDH 3591/4885S1PR1 2943/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885XDH 3591/4885S1PR1 2943/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885XDH 3591/4885S1PR1 2943/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885XDH 3591/4885S1PR1 2943/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CENPE 50/4885XDH 3409/4885S1PR1 2584/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885XDH 3591/4885S1PR1 2943/4885

“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.