SCHEMBL14735244

SCHEMBL14735244

COc1ccc2c(c1C#CC(C)(C)N1CCN(C(=O)OC(C)(C)C)CC1)OCC2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PDE4B Q07343 4/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ STS P08842 1/20 0.36
▸ F13A1 P00488 1/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ TGM1 P22735 1/20 0.35
▸ SMPD3 Q9NY59 1/20 0.35
▸ PDE11A Q9HCR9 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ CFTR P13569 1/20 0.35
▸ SETD7 Q8WTS6 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ GPR183 P32249 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
SCHEMBL14887070 0.85 STS (0.40) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL14734959 0.84 MMP2 (0.41) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL14735277 0.83 ALDH2 (0.42) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL14735402 0.82 CHRM2 (0.38) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL14735000 0.80 GPR119 (0.41) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL14735601 0.80 GPR119 (0.42) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL14735401 0.78 ALDH1A1 (0.37) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL14734906 0.77 CHRM2 (0.41) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL14735456 0.76 TLR8 (0.42) MEN1KMT2APDE4BALDH1A1PDE11A
SCHEMBL14735473 0.76 MEN1 (0.47) MEN1KMT2APDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 — — EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 — — US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 — — EP disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 — — US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 — — EP 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-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 MEN1 2639/4885KMT2A 576/4885PDE4B 4463/4885

“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.

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