SCHEMBL3228657

SCHEMBL3228657

CC(C)Oc1ccc(C(=O)NC(CNC(=O)CN)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.85
KIFC1 Q9BW19 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A2 O94788 1/20 0.35
ALDH1A3 P47895 1/20 0.35
SUV39H2 Q9H5I1 2/20 0.35
WDR5 P61964 1/20 0.34
PPARG P37231 2/20 0.34
P2RX3 P56373 4/20 0.33
S1PR1 P21453 1/20 0.33
KLKB1 P03952 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 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
SCHEMBL3228640 1.00 CENPE (0.85) CENPEKIFC1ALDH1A1KDM4EKMT2A
SCHEMBL2105447 0.94 CENPE (0.86) CENPEKIFC1ALDH1A1KDM4EKMT2A
SCHEMBL3461806 0.94 CENPE (0.86) CENPEKIFC1ALDH1A1KDM4EKMT2A
SCHEMBL3223481 0.93 CENPE (0.84) CENPEKIFC1ALDH1A1KDM4EKMT2A
SCHEMBL3223492 0.93 CENPE (0.84) CENPEKIFC1ALDH1A1KDM4EKMT2A
SCHEMBL3461487 0.93 CENPE (0.80) CENPEKIFC1ALDH1A1KDM4EKMT2A
SCHEMBL2104273 0.93 CENPE (0.80) CENPEKIFC1ALDH1A1KDM4EKMT2A
Gsk-923295A SCHEMBL1492164 0.92 CENPE (1.00) CENPEKIFC1ALDH1A1KDM4EKMT2A
Gsk-923295A SCHEMBL368558 0.92 CENPE (1.00) CENPEKIFC1ALDH1A1KDM4EKMT2A
Gsk-923295A SCHEMBL2101077 0.92 CENPE (1.00) CENPEKIFC1ALDH1A1KDM4EKMT2A

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 9 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
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP claimed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US claimed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US disclosed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US disclosed
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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 (2 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 4/4885ALDH1A1 2159/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885ALDH1A1 2159/4885

“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.