SCHEMBL2844371

SCHEMBL2844371

COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)c(F)c3F)C(=O)C2(C)C)c2cc(C(F)(F)F)oc12

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.69
PDE3A Q14432 17/20 0.69
NR1H2 P55055 3/20 0.35
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 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
SCHEMBL13354243 0.90 PDE4B (0.64) PDE4BPDE3ANR1H2PDE4APDE4C
SCHEMBL2845466 0.87 PDE4B (0.68) PDE4BPDE3ANR1H2
SCHEMBL2850960 0.87 PDE4B (0.63) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2844982 0.85 PDE4B (0.76) PDE4BPDE3ANR1H2PDE4APDE4C
SCHEMBL3124280 0.83 PDE4B (0.49) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2845455 0.82 PDE4B (0.77) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2843550 0.81 PDE4B (1.00) PDE4BPDE3A
SCHEMBL2849988 0.81 PDE4B (0.69) PDE4BPDE3ANR1H2PDE4APDE4C
SCHEMBL2845291 0.80 PDE4B (0.59) PDE4BPDE3ANR1H2PDE4D
SCHEMBL2844623 0.80 PDE4B (0.67) PDE4BPDE3A

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 3 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
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 1/4885NR1H2 1993/4885

“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.