Sugi Predict

Sugi Predict / Compounds / SCHEMBL2617345

SCHEMBL2617345

SCHEMBL2617345

Cc1cccn2cc(-c3ccc(C[C@@H](CCOCc4ccccc4)NC(=O)OCc4ccccc4)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ KDM4E B2RXH2 6/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CENPE Q02224 1/20 0.49
▸ HRH3 Q9Y5N1 7/20 0.47
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ TP53 P04637 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ CTRB1 P17538 2/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL3463331 0.78 CENPE (0.51) ALDH1A1KDM4EKMT2AMEN1CENPE
SCHEMBL2617337 0.76 CENPE (0.51) ALDH1A1KDM4EKMT2AMEN1CENPE
SCHEMBL2105673 0.76 CENPE (0.51) ALDH1A1KDM4EKMT2AMEN1CENPE
SCHEMBL3460931 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AMEN1CENPE
SCHEMBL2617341 0.74 CTRB1 (0.60) ALDH1A1SMN1; SMN2CTRB1
SCHEMBL2105676 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AMEN1CENPE
SCHEMBL13162723 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMEN1CENPE
SCHEMBL2630528 0.73 CENPE (0.47) ALDH1A1KDM4EKMT2AMEN1CENPE
SCHEMBL2617351 0.70 CTRB1 (0.55) ALDH1A1SMN1; SMN2CTRB1
SCHEMBL12970526 0.68 ALDH1A1 (0.71) ALDH1A1KDM4EKMT2AMEN1HRH3

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-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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 — — 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-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-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 — — 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-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 — — 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885KDM4E 3267/4885KMT2A 1501/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 ALDH1A1 1977/4885KDM4E 3116/4885KMT2A 1491/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885KDM4E 3267/4885KMT2A 1501/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885KDM4E 3267/4885KMT2A 1501/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885KDM4E 3267/4885KMT2A 1501/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885KDM4E 3267/4885KMT2A 1501/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885KDM4E 3267/4885KMT2A 1501/4885

“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.