SCHEMBL2844862

SCHEMBL2844862

COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4C)c(F)c3F)C(=O)C2(C)C)c2cc(C(F)(F)F)sc12

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.62
PDE3A Q14432 20/20 0.62
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
PDE3B Q13370 2/20 0.40

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
SCHEMBL2844982 0.87 PDE4B (0.76) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2845130 0.87 PDE4B (0.77) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2850960 0.86 PDE4B (0.63) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2844159 0.86 PDE4B (0.75) PDE4BPDE3A
SCHEMBL2841473 0.84 PDE4B (0.54) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2842022 0.84 PDE4B (0.54) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2841861 0.83 PDE4B (0.59) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL3114415 0.83 PDE4B (0.63) PDE4BPDE3A
SCHEMBL2850789 0.83 PDE4B (0.53) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL13322120 0.82 PDE4B (0.51) PDE4BPDE3APDE4APDE4CPDE4D

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 PDE4B 6/4885PDE3A 1/4885PDE4A 5/4885

“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.