Sugi Predict

Sugi Predict / Compounds / SCHEMBL2104601

SCHEMBL2104601

SCHEMBL2104601

Cc1cccc2[nH]c(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 3/20 0.51
▸ HPSE Q9Y251 4/20 0.49
▸ MGAM O43451 5/20 0.42
▸ GAA P10253 5/20 0.42
▸ SI P14410 5/20 0.42
▸ MGAM2 Q2M2H8 5/20 0.42
▸ KIFC1 Q9BW19 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ APLNR P35414 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ MME P08473 1/20 0.39
▸ VSIR Q9H7M9 1/20 0.39

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
SCHEMBL4792553 1.00 CENPE (0.51) CENPEHPSEMGAMGAASI
SCHEMBL2105475 0.88 CENPE (0.48) CENPEHPSEKDM4ENPC1ALDH1A1
SCHEMBL2104691 0.88 CENPE (0.49) CENPEHPSEGAAKIFC1KDM4E
SCHEMBL2104165 0.85 CENPE (0.46) CENPEHPSEKIFC1
SCHEMBL13644431 0.84 CENPE (0.45) CENPEHPSEKIFC1HPGDSMN1; SMN2
SCHEMBL4400479 0.84 CENPE (0.45) CENPEHPSEKIFC1MME
SCHEMBL2103765 0.84 CENPE (0.45) CENPEHPSEKIFC1MME
SCHEMBL2104700 0.84 CENPE (0.45) CENPEKIFC1PTGDR2
SCHEMBL4525707 0.84 CENPE (0.45) CENPEKIFC1PTGDR2
SCHEMBL3462683 0.83 KIFC1 (0.40) CENPEHPSEKIFC1APLNR

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 31 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-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-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-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 — — 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-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 — — 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
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
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 — — EP 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
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 (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-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 522/4885HPSE 3874/4885MGAM 4233/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885HPSE 2212/4885MGAM 4489/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885HPSE 2212/4885MGAM 4489/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885HPSE 2212/4885MGAM 4489/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 CENPE 54/4885HPSE 2212/4885MGAM 4489/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CENPE 50/4885HPSE 2206/4885MGAM 4476/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885HPSE 2212/4885MGAM 4489/4885

“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.