SCHEMBL2103587

SCHEMBL2103587

CNC(=O)c1[c]nc(-c2ccccc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
ALDH1A1 P00352 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 2/20 0.44
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHEK1 O14757 2/20 0.41
BAZ2B Q9UIF8 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
PDGFRA P16234 1/20 0.41
GSK3B P49841 1/20 0.41
RPS6KA3 P51812 1/20 0.41
LIMK1 P53667 1/20 0.41

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
SCHEMBL13407796 0.70 ALDH1A1 (1.00) HPGDALDH1A1NPSR1NPC1KDM4E
SCHEMBL1435544 0.69 SMN1; SMN2 (0.41) HPGDALDH1A1NPSR1NPC1RAB9A
SCHEMBL7455571 0.68 ALDH1A1 (0.60) HPGDALDH1A1NPSR1NPC1KDM4E
SCHEMBL13407997 0.67 HPGD (0.77) HPGDALDH1A1NPSR1NPC1KDM4E
SCHEMBL330268 0.67 NPSR1 (0.59) HPGDALDH1A1NPSR1NPC1KDM4E
SCHEMBL2088949 0.66 PDPK1 (0.38) ALDH1A1NPSR1NPC1KDM4ERAB9A
SCHEMBL1246771 0.66 L3MBTL1 (0.71) HPGDALDH1A1NPSR1NPC1KDM4E
SCHEMBL7456488 0.66 ALDH1A1 (0.65) HPGDALDH1A1NPSR1NPC1MAPT
SCHEMBL15074686 0.65 HPGD (0.57) HPGDALDH1A1NPSR1NPC1KDM4E
SCHEMBL12495675 0.64 RAB9A (1.00) HPGDALDH1A1NPC1KDM4ERAB9A

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 15 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-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-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 US disclosed
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2009-12-17 US disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 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 (9 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 HPGD 3093/4885ALDH1A1 1729/4885NPSR1 3739/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HPGD 2681/4885ALDH1A1 2159/4885NPSR1 4395/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 HPGD 2517/4885ALDH1A1 1977/4885NPSR1 4372/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HPGD 2681/4885ALDH1A1 2159/4885NPSR1 4395/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 HPGD 2681/4885ALDH1A1 2159/4885NPSR1 4395/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 HPGD 2681/4885ALDH1A1 2159/4885NPSR1 4395/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 HPGD 2681/4885ALDH1A1 2159/4885NPSR1 4395/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 HPGD 2517/4885ALDH1A1 1977/4885NPSR1 4372/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HPGD 2681/4885ALDH1A1 2159/4885NPSR1 4395/4885

“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.