SCHEMBL3345645

SCHEMBL3345645

COc1ccc(-c2ccc(=O)n(CCCCOc3ccc(C4=NNC(=O)C4(C)C)c(F)c3F)n2)c2cc(C(F)(F)F)sc12

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.62
PDE3A Q14432 18/20 0.62
CHRNE Q04844 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL3122129 0.86 PDE4B (0.74) PDE4BPDE3ACHRNEPDE4APDE4C
SCHEMBL2844159 0.85 PDE4B (0.75) PDE4BPDE3A
SCHEMBL3114476 0.85 PDE4B (0.62) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL3121108 0.85 PDE4B (0.54) PDE4BPDE3ACHRNEPDE4APDE4C
SCHEMBL3117860 0.83 PDE4B (0.58) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL3128102 0.83 PDE4B (0.61) PDE4BPDE3ACHRNE
SCHEMBL3114415 0.83 PDE4B (0.63) PDE4BPDE3A
SCHEMBL13304141 0.82 PDE4B (0.61) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL13354294 0.82 PDE4B (0.62) PDE4BPDE3A
SCHEMBL3122521 0.81 PDE4B (0.54) PDE4BPDE3ACHRNE

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-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

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-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A PDE4B 8/4885PDE3A 1/4885CHRNE 638/4885

“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.