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SCHEMBL2104772

SCHEMBL2104772

COC(=O)N[C@H](c1nc(-c2ccc(C[C@@H](CCO)NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)cn1C)[C@H](C)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 3/20 0.48
▸ KIFC1 Q9BW19 1/20 0.36
▸ CTSB P07858 4/20 0.35
▸ CTSS P25774 3/20 0.35
▸ CTSK P43235 2/20 0.35
▸ S1PR1 P21453 3/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ CTSL P07711 2/20 0.34
▸ ACE P12821 1/20 0.34
▸ EMG1 Q92979 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ MINK1 Q8N4C8 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ MME P08473 1/20 0.33

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
SCHEMBL3229518 0.90 CENPE (0.51) CENPEKIFC1S1PR1TAS1R3TAS1R1
SCHEMBL3228261 0.88 CENPE (0.52) CENPEKIFC1S1PR1TAS1R3TAS1R1
SCHEMBL2617416 0.88 CENPE (0.52) CENPEKIFC1S1PR1TAS1R3TAS1R1
SCHEMBL3462429 0.88 CENPE (0.52) CENPEKIFC1S1PR1TAS1R3TAS1R1
SCHEMBL3224802 0.86 CENPE (0.51) CENPEKIFC1S1PR1TAS1R3TAS1R1
SCHEMBL3234403 0.86 CENPE (0.51) CENPEKIFC1S1PR1TAS1R3TAS1R1
SCHEMBL13711223 0.84 CENPE (0.54) CENPEKIFC1S1PR1TAS1R3TAS1R1
SCHEMBL2617412 0.84 CENPE (0.54) CENPEKIFC1S1PR1TAS1R3TAS1R1
SCHEMBL3234445 0.84 CENPE (0.51) CENPEKIFC1S1PR1TAS1R3TAS1R1
SCHEMBL3224310 0.83 CENPE (0.52) CENPEKIFC1S1PR1TAS1R3TAS1R1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 — — US claimed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 — — US claimed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 — — US claimed
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-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-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 — — US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 — — US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 — — US disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 — — 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 (9 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 CENPE 54/4885KIFC1 4/4885CTSB 2225/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885CTSB 2225/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 CENPE 50/4885KIFC1 5/4885CTSB 2122/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885CTSB 2225/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885CTSB 2225/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885CTSB 2225/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885CTSB 2225/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 CENPE 50/4885KIFC1 5/4885CTSB 2122/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885CTSB 2225/4885

“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.