Sugi Predict

Sugi Predict / Compounds / SCHEMBL3462684

SCHEMBL3462684

SCHEMBL3462684

CC(=O)c1nc(-c2ccc(CC(CCO)NC(=O)c3ccc(NC(C)C)c(C#N)c3)cc2)cn1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 2/20 0.53
▸ BACE1 P56817 1/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ PRKACA P17612 2/20 0.33
▸ IRAK1 P51617 2/20 0.33
▸ PRKX P51817 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ PRKG1 Q13976 2/20 0.33
▸ PKN2 Q16513 2/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ PRKG2 Q13237 1/20 0.33
▸ HIPK4 Q8NE63 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ CSNK1G1 Q9HCP0 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ RPS6KA5 O75582 1/20 0.32
▸ RPS6KA4 O75676 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL13161812 1.00 CENPE (0.53) CENPEBACE1ROCK2PRKACAIRAK1
SCHEMBL13626779 0.89 CENPE (0.43) CENPEBACE1ROCK2ROCK1S1PR3
SCHEMBL13162053 0.88 CENPE (0.43) CENPEBACE1ROCK2PRKACAIRAK1
SCHEMBL3461220 0.88 CENPE (0.43) CENPEBACE1ROCK2PRKACAIRAK1
SCHEMBL13161539 0.87 CENPE (0.70) CENPES1PR3
SCHEMBL3461841 0.87 CENPE (0.70) CENPES1PR3
SCHEMBL3462753 0.85 CENPE (0.60) CENPES1PR3
SCHEMBL13161526 0.85 CENPE (0.60) CENPES1PR3
SCHEMBL13161667 0.84 CENPE (0.61) CENPES1PR3
SCHEMBL3463055 0.84 CENPE (0.61) CENPES1PR3

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 13 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-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
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 — — EP disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 — — US disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 — — EP 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
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 — — WO 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 522/4885BACE1 4637/4885ROCK2 1066/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885BACE1 4456/4885ROCK2 685/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885BACE1 4456/4885ROCK2 685/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885BACE1 4456/4885ROCK2 685/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CENPE 50/4885BACE1 4340/4885ROCK2 709/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885BACE1 4456/4885ROCK2 685/4885

“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.