SCHEMBL3231102

SCHEMBL3231102

CNC(=O)C[C@H](Cc1ccc(-c2cn(C)c(C(C)(C)O)n2)cc1)NC(=O)c1ccc(OC(C)C)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.51
KIFC1 Q9BW19 1/20 0.40
DHODH Q02127 1/20 0.36
P2RX3 P56373 2/20 0.36
MAP4K4 O95819 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
S1PR1 P21453 8/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
WDR5 P61964 1/20 0.34
KMO O15229 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
SCHEMBL2104831 0.95 CENPE (0.51) CENPEKIFC1P2RX3MAP4K4MINK1
SCHEMBL3229267 0.93 DHODH (0.45) CENPEKIFC1DHODHP2RX3TAS1R3
SCHEMBL3216793 0.91 CENPE (0.49) CENPEKIFC1P2RX3MAP4K4MINK1
SCHEMBL3231108 0.90 CENPE (0.41) CENPEDHODHP2RX3TAS1R3TAS1R1
SCHEMBL3462427 0.89 CENPE (0.53) CENPEKIFC1DHODHP2RX3MAP4K4
SCHEMBL13161681 0.89 CENPE (0.53) CENPEKIFC1DHODHP2RX3MAP4K4
SCHEMBL3228307 0.89 CENPE (0.52) CENPEKIFC1P2RX3MAP4K4MINK1
SCHEMBL3228189 0.88 CENPE (0.52) CENPEKIFC1P2RX3MAP4K4MINK1
SCHEMBL3461920 0.87 CENPE (0.48) CENPEKIFC1DHODHP2RX3MAP4K4
SCHEMBL13161777 0.87 CENPE (0.48) CENPEKIFC1DHODHP2RX3MAP4K4

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 10 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-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
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 (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 4/4885DHODH 1141/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885DHODH 1141/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885KIFC1 4/4885DHODH 1141/4885

“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.