SCHEMBL2103248

SCHEMBL2103248

Cc1cccn2cc(-c3ccc(I)cc3)nc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.79
NPC1 O15118 6/20 0.79
RAB9A P51151 6/20 0.79
NFKB1 P19838 3/20 0.79
NFKB2 Q00653 3/20 0.79
RELA Q04206 3/20 0.79
GAA P10253 2/20 0.79
KDM4E B2RXH2 6/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
HSD17B10 Q99714 3/20 0.77
TP53 P04637 3/20 0.77
NPSR1 Q6W5P4 2/20 0.77
HPGD P15428 2/20 0.77
TSHR P16473 1/20 0.77
PKM P14618 1/20 0.75
MAPT P10636 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
RECQL P46063 1/20 0.58
HRH3 Q9Y5N1 7/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL2617338 0.89 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL13325903 0.87 ALDH1A1 (0.94) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL4837433 0.87 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL28851904 0.86 RAB9A (1.00) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL972723 0.86 NPC1 (0.77) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL5420774 0.86 NPC1 (0.77) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL5409082 0.86 RAB9A (0.77) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL4728827 0.86 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ANFKB1NFKB2
Bromide SCHEMBL1691886 0.84 NPC1 (0.75) ALDH1A1NPC1RAB9ANFKB1NFKB2
SCHEMBL13325759 0.83 NPC1 (0.73) ALDH1A1NPC1RAB9ANFKB1NFKB2

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 52 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-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-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-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-20070197640-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070197640-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 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
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
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
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-20070197640-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885NPC1 835/4885RAB9A 1213/4885
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 ALDH1A1 1729/4885NPC1 1862/4885RAB9A 3091/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885NPC1 835/4885RAB9A 1213/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885NPC1 835/4885RAB9A 1213/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 ALDH1A1 1977/4885NPC1 619/4885RAB9A 1283/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885NPC1 835/4885RAB9A 1213/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885NPC1 835/4885RAB9A 1213/4885

“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.