Sugi Predict

Sugi Predict / Compounds / SCHEMBL3228261

SCHEMBL3228261

SCHEMBL3228261

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 3/20 0.52
▸ TAS1R3 Q7RTX0 5/20 0.39
▸ TAS1R1 Q7RTX1 5/20 0.39
▸ S1PR1 P21453 7/20 0.39
▸ KIFC1 Q9BW19 1/20 0.39
▸ MAP4K4 O95819 1/20 0.36
▸ MINK1 Q8N4C8 1/20 0.36
▸ ITGA4 P13612 1/20 0.35
▸ ITGB7 P26010 1/20 0.35
▸ P2RX3 P56373 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ PRKX P51817 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ PRKG2 Q13237 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34

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
SCHEMBL2617416 1.00 CENPE (0.52) CENPETAS1R3TAS1R1S1PR1KIFC1
SCHEMBL3462429 1.00 CENPE (0.52) CENPETAS1R3TAS1R1S1PR1KIFC1
SCHEMBL3224310 0.95 CENPE (0.52) CENPETAS1R3TAS1R1S1PR1KIFC1
SCHEMBL3462341 0.93 CENPE (0.53) CENPETAS1R3TAS1R1S1PR1KIFC1
SCHEMBL13161570 0.93 CENPE (0.53) CENPETAS1R3TAS1R1S1PR1KIFC1
SCHEMBL2617413 0.93 CENPE (0.53) CENPETAS1R3TAS1R1S1PR1KIFC1
SCHEMBL3224802 0.93 CENPE (0.51) CENPETAS1R3TAS1R1S1PR1KIFC1
SCHEMBL2617414 0.93 CENPE (0.52) CENPETAS1R3TAS1R1S1PR1KIFC1
SCHEMBL13637413 0.93 CENPE (0.52) CENPETAS1R3TAS1R1S1PR1KIFC1
SCHEMBL3229518 0.92 CENPE (0.51) CENPETAS1R3TAS1R1S1PR1KIFC1

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 6 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-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
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 (3 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 54/4885TAS1R3 4827/4885TAS1R1 4847/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885TAS1R3 4827/4885TAS1R1 4847/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885TAS1R3 4827/4885TAS1R1 4847/4885

“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.