SCHEMBL3229985

SCHEMBL3229985

CC(=O)c1nc(-c2ccc(C[C@@H](CCOC(=O)CN(C)C)NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)cn1C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.54
KIFC1 Q9BW19 1/20 0.42
S1PR1 P21453 10/20 0.36
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
UTS2R Q9UKP6 1/20 0.33
WDR5 P61964 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
P2RX3 P56373 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
SCHEMBL3230000 1.00 CENPE (0.54) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL3229991 0.91 CENPE (0.45) CENPEKIFC1TAS1R3TAS1R1UTS2R
SCHEMBL2104300 0.88 CENPE (0.55) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL2104302 0.88 CENPE (0.55) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL28437238 0.87 CENPE (0.70) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL28437235 0.87 CENPE (0.70) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL2105560 0.87 CENPE (0.48) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL2105551 0.87 CENPE (0.48) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL2105570 0.87 CENPE (0.48) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL13162803 0.86 CENPE (0.50) CENPEKIFC1S1PR1MAP4K4MINK1

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 54/4885KIFC1 4/4885S1PR1 2943/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885S1PR1 2943/4885
US-20070149516-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.