Sugi Predict

Sugi Predict / Compounds / SCHEMBL3226744

SCHEMBL3226744

SCHEMBL3226744

CC(C)Oc1ccc(C(=O)N[C@@H](Cc2ccc(-c3cn4cccc(CCO)c4n3)cc2)CN2CCCC2CC(N)=O)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 3/20 0.53
▸ KIFC1 Q9BW19 1/20 0.33
▸ S1PR1 P21453 6/20 0.33
▸ WDR5 P61964 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ALDH1A2 O94788 1/20 0.31
▸ ALDH1A3 P47895 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ MINK1 Q8N4C8 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL2105756 0.86 CENPE (0.60) CENPEKIFC1S1PR1WDR5ALDH1A1
SCHEMBL2105793 0.86 CENPE (0.60) CENPEKIFC1S1PR1WDR5ALDH1A1
SCHEMBL360386 0.84 CENPE (0.68) CENPEKIFC1S1PR1WDR5ALDH1A1
SCHEMBL13637264 0.83 CENPE (0.60) CENPEKIFC1S1PR1WDR5ALDH1A1
SCHEMBL3230398 0.81 CENPE (0.65) CENPEKIFC1S1PR1WDR5ALDH1A1
SCHEMBL362745 0.79 CENPE (0.81) CENPEKIFC1S1PR1WDR5ALDH1A1
SCHEMBL2104043 0.78 CENPE (0.69) CENPEKIFC1S1PR1ALDH1A1KDM4E
SCHEMBL3462432 0.78 CENPE (0.69) CENPEKIFC1S1PR1ALDH1A1KDM4E
SCHEMBL3462556 0.78 CENPE (0.71) CENPEKIFC1S1PR1ALDH1A1KDM4E
SCHEMBL3463366 0.78 CENPE (0.71) CENPEKIFC1S1PR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 — — EP claimed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 — — WO claimed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 — — US claimed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 — — US disclosed
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 — — EP 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 4/4885S1PR1 2943/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885S1PR1 2943/4885

“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.