SCHEMBL18864002

SCHEMBL18864002

COc1ccc2c(c1CN1C(C)CN(C(=O)OC(C)(C)C)CC1C)OCC2=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 12/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ PDE4A P27815 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ STS P08842 1/20 0.34
▸ PDE11A Q9HCR9 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NAMPT P43490 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
SCHEMBL18864000 1.00 PDE4B (0.39) PDE4BUSP30PDE4APDE4CPDE4D
SCHEMBL18890841 0.88 USP30 (0.39) PDE4BUSP30PDE4APDE4CPDE4D
SCHEMBL14734906 0.83 CHRM2 (0.41) PDE4BPDE4APDE4CPDE4DGPR119
SCHEMBL18864074 0.80 KCNK3 (0.38) PDE4BUSP30PDE4APDE4CPDE4D
SCHEMBL14735393 0.80 GPR119 (0.43) PDE4BUSP30PDE4APDE4CPDE4D
SCHEMBL14735501 0.79 GPR119 (0.44) PDE4BUSP30PDE4APDE4CPDE4D
SCHEMBL14735488 0.77 GPR119 (0.47) PDE4BUSP30PDE4APDE4CPDE4D
SCHEMBL18890883 0.77 PDE4B (0.41) PDE4BUSP30PDE4APDE4CPDE4D
SCHEMBL18864059 0.77 PDE4B (0.41) PDE4BUSP30PDE4APDE4CPDE4D
SCHEMBL18890882 0.77 PDE4B (0.41) PDE4BUSP30PDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145005-A1 KINASE INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2017-05-25 — — 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-20170145005-A1 KINASE INHIBITOR PIM3, PIM1, PIM2 PDE4B 2887/4885USP30 2703/4885PDE4A 2929/4885

“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.

Send feedback