SCHEMBL2848037

SCHEMBL2848037

CCC(=O)c1ccc(OC)c2nc(C(F)(F)F)[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.52
PDE4A P27815 6/20 0.52
PDE4C Q08493 6/20 0.52
PDE4D Q08499 6/20 0.52
PDE3A Q14432 2/20 0.45
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP1 P09874 1/20 0.39
HMGCR P04035 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CSNK2A1 P68400 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3125459 0.88 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL10840751 0.80 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL3118537 0.80 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL13304018 0.76 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL6950195 0.76 PDE4D (0.85) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL2172029 0.75 CSNK2A1 (0.50) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL2839762 0.74 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL3124621 0.73 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL2842819 0.73 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL3124195 0.72 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 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
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-2168959-A1 PYRIDAZINONE 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 (2 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 6/4885PDE4A 5/4885PDE4C 15/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A PDE4B 8/4885PDE4A 6/4885PDE4C 10/4885

“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.