SCHEMBL5569134

SCHEMBL5569134

CC(C)Oc1ccc(CN[C@H](CCO)Cc2ccc(-c3cn(C)c(C(C)(C)O)n3)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.39
S1PR1 P21453 6/20 0.36
DHODH Q02127 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX3 P56373 5/20 0.35
CSNK2A1 P68400 2/20 0.35
WDR5 P61964 1/20 0.35
MAP4K4 O95819 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
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
SCHEMBL5569135 0.89 MEN1 (0.36) CENPES1PR1DHODHMEN1KMT2A
SCHEMBL13161681 0.86 CENPE (0.53) CENPES1PR1DHODHP2RX3MAP4K4
SCHEMBL3462427 0.86 CENPE (0.53) CENPES1PR1DHODHP2RX3MAP4K4
SCHEMBL5569467 0.83 CENPE (0.39) CENPES1PR1MEN1KMT2AP2RX3
SCHEMBL3462435 0.80 CENPE (0.54) CENPES1PR1P2RX3MAP4K4MINK1
SCHEMBL13161714 0.80 CENPE (0.54) CENPES1PR1P2RX3MAP4K4MINK1
SCHEMBL362036 0.79 CENPE (0.46) CENPEDHODHP2RX3
SCHEMBL13161783 0.79 CENPE (0.46) CENPEDHODHP2RX3
SCHEMBL3461920 0.78 CENPE (0.48) CENPES1PR1DHODHP2RX3MAP4K4
SCHEMBL13161777 0.78 CENPE (0.48) CENPES1PR1DHODHP2RX3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US claimed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 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 (1 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-20070219192-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885S1PR1 2943/4885DHODH 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.