SCHEMBL2845290

SCHEMBL2845290

COc1ccc(C2NN(CCCCBr)C(=O)C2(C)C)c2cc(C(F)(F)F)oc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.43
PDE3A Q14432 2/20 0.43
NR1H2 P55055 2/20 0.32
SLC6A2 P23975 2/20 0.31
PDE4D Q08499 2/20 0.31
GSK3B P49841 1/20 0.30

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
SCHEMBL2850757 0.81 PDE4B (0.43) PDE4BPDE3A
SCHEMBL2852196 0.75 PDE4B (0.44) PDE4BPDE3A
SCHEMBL2842067 0.75 KDM4E (0.36) PDE4BPDE4DGSK3B
SCHEMBL2845291 0.74 PDE4B (0.59) PDE4BPDE3ANR1H2SLC6A2PDE4D
SCHEMBL2851786 0.73 CASR (0.30)
SCHEMBL2845708 0.73 SLC6A2 (0.31) SLC6A2PDE4D
SCHEMBL2843131 0.70 PDE4B (0.43) PDE4BPDE3A
SCHEMBL2843530 0.70 PDE4B (0.45) PDE4BPDE3A
SCHEMBL3122953 0.69 PDE4B (0.47) PDE4BPDE3APDE4D
SCHEMBL3119075 0.68 PDE4B (0.62) PDE4BPDE3ASLC6A2PDE4D

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 2 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
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.