SCHEMBL2841367

SCHEMBL2841367

COC(=O)C(C)C(=O)c1ccc(OC)c2nc(C(C)C)ccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.49
PDE4B Q07343 15/20 0.49
PDE4C Q08493 15/20 0.49
PDE4D Q08499 15/20 0.49
ADORA2A P29274 1/20 0.39
PLK1 P53350 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PDE10A Q9Y233 1/20 0.35
CDC25B P30305 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
SCHEMBL2850748 0.86 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPLK1
SCHEMBL2848106 0.83 PDE4B (0.56) PDE4APDE4BPDE4CPDE4DPLK1
SCHEMBL2842068 0.82 PDE4B (0.58) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL13354286 0.80 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL2847177 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL2845083 0.79 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL2846502 0.79 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPLK1
SCHEMBL3123978 0.77 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL2841461 0.71 NQO2 (0.45) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10671645 0.70 CTSD (0.53) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A PDE4A 5/4885PDE4B 6/4885PDE4C 15/4885

“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.