SCHEMBL2105849

SCHEMBL2105849

O=C(Nc1ccncc1)C1CC[CH]CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.63
ROCK1 Q13464 4/20 0.63
GLA P06280 1/20 0.60
PKN2 Q16513 3/20 0.60
RPS6KA5 O75582 2/20 0.60
LRRK2 Q5S007 2/20 0.60
TP53 P04637 2/20 0.60
CYP3A4 P08684 2/20 0.60
TSHR P16473 2/20 0.60
HTT P42858 2/20 0.60
CHUK O15111 1/20 0.60
PRKD3 O94806 1/20 0.60
CDK1 P06493 1/20 0.60
CDK2 P24941 1/20 0.60
LTK P29376 1/20 0.60
CDK8 P49336 1/20 0.60
PRKX P51817 1/20 0.60
CDK5 Q00535 1/20 0.60
PRKCQ Q04759 1/20 0.60
PRKCD Q05655 1/20 0.60

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
SCHEMBL7520976 0.89 ROCK2 (0.76) ROCK2ROCK1GLAPKN2RPS6KA5
SCHEMBL30828553 0.89 ROCK2 (0.76) ROCK2ROCK1GLAPKN2RPS6KA5
Hydrochloric Acid SCHEMBL27545321 0.87 ROCK2 (0.73) ROCK2ROCK1GLAPKN2RPS6KA5
SCHEMBL5578926 0.84 PTPN1 (0.69) ROCK2ROCK1GLAPKN2RPS6KA5
Hydrochloric Acid SCHEMBL29633116 0.83 PTPN1 (0.67) ROCK2ROCK1GLAPKN2RPS6KA5
SCHEMBL30828597 0.83 ACVRL1 (0.72) ROCK2ROCK1GLAPKN2RPS6KA5
SCHEMBL29129852 0.81 ROCK2 (0.70) ROCK2ROCK1GLAPKN2RPS6KA5
SCHEMBL1553557 0.81 ROCK2 (0.67) ROCK2ROCK1GLAPKN2RPS6KA5
SCHEMBL1553389 0.81 ROCK2 (0.61) ROCK2ROCK1GLAPKN2RPS6KA5
SCHEMBL29129855 0.81 ROCK2 (0.70) ROCK2ROCK1GLAPKN2RPS6KA5

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 14 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-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 (8 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 ROCK2 1066/4885ROCK1 1156/4885GLA 3419/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ROCK2 685/4885ROCK1 616/4885GLA 2181/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 ROCK2 709/4885ROCK1 632/4885GLA 1970/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ROCK2 685/4885ROCK1 616/4885GLA 2181/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 ROCK2 685/4885ROCK1 616/4885GLA 2181/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 ROCK2 685/4885ROCK1 616/4885GLA 2181/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 ROCK2 709/4885ROCK1 632/4885GLA 1970/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ROCK2 685/4885ROCK1 616/4885GLA 2181/4885

“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.