Sugi Predict

Sugi Predict / Compounds / SCHEMBL3461657

SCHEMBL3461657

SCHEMBL3461657

CC(=O)c1nc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)cn1CCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 3/20 0.52
▸ S1PR1 P21453 7/20 0.40
▸ KIFC1 Q9BW19 1/20 0.39
▸ P2RX3 P56373 4/20 0.38
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ MINK1 Q8N4C8 1/20 0.36
▸ S1PR3 Q99500 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ PRKX P51817 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ PRKG2 Q13237 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ PRKG1 Q13976 1/20 0.34
▸ PKN2 Q16513 1/20 0.34

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
SCHEMBL13161493 1.00 CENPE (0.52) CENPES1PR1KIFC1P2RX3TAS1R3
SCHEMBL3462609 0.96 CENPE (0.51) CENPES1PR1KIFC1P2RX3TAS1R3
SCHEMBL13161866 0.96 CENPE (0.51) CENPES1PR1KIFC1P2RX3TAS1R3
SCHEMBL3463142 0.95 CENPE (0.53) CENPES1PR1KIFC1P2RX3TAS1R3
SCHEMBL13161517 0.95 CENPE (0.53) CENPES1PR1KIFC1P2RX3TAS1R3
SCHEMBL13161543 0.94 CENPE (0.52) CENPES1PR1KIFC1P2RX3TAS1R3
SCHEMBL3462287 0.94 CENPE (0.52) CENPES1PR1KIFC1P2RX3TAS1R3
SCHEMBL13161534 0.93 CENPE (0.52) CENPES1PR1KIFC1P2RX3TAS1R3
SCHEMBL3462100 0.93 CENPE (0.52) CENPES1PR1KIFC1P2RX3TAS1R3
SCHEMBL3461222 0.93 CENPE (0.54) CENPES1PR1KIFC1P2RX3TAS1R3

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 10 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
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 — — 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 (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 522/4885S1PR1 2246/4885KIFC1 9/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885S1PR1 2943/4885KIFC1 4/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885S1PR1 2943/4885KIFC1 4/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885S1PR1 2943/4885KIFC1 4/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CENPE 50/4885S1PR1 2584/4885KIFC1 5/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885S1PR1 2943/4885KIFC1 4/4885

“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.