SCHEMBL5338168

SCHEMBL5338168

CS(=O)(=O)c1cncc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.77
PDE4A P27815 15/20 0.64
CYP2C9 P11712 1/20 0.64
PDE4B Q07343 13/20 0.63
PDE4C Q08493 13/20 0.63
PDE4D Q08499 13/20 0.63

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
SCHEMBL5340317 0.87 KCNH2 (1.00) KCNH2PDE4ACYP2C9PDE4BPDE4C
SCHEMBL5341812 0.87 PDE4A (0.81) KCNH2PDE4ACYP2C9PDE4BPDE4C
SCHEMBL5342889 0.87 KCNH2 (0.82) KCNH2PDE4ACYP2C9PDE4BPDE4C
SCHEMBL5342289 0.86 KCNH2 (1.00) KCNH2PDE4ACYP2C9PDE4BPDE4C
SCHEMBL5336548 0.85 KCNH2 (1.00) KCNH2PDE4ACYP2C9PDE4BPDE4C
SCHEMBL5943314 0.85 KCNH2 (0.93) KCNH2PDE4ACYP2C9PDE4BPDE4C
SCHEMBL5352727 0.84 KCNH2 (0.75) KCNH2PDE4ACYP2C9PDE4BPDE4C
SCHEMBL5346668 0.84 KCNH2 (0.78) KCNH2PDE4ACYP2C9PDE4BPDE4C
SCHEMBL5340894 0.83 KCNH2 (0.82) KCNH2PDE4ACYP2C9PDE4BPDE4C
SCHEMBL5340401 0.83 PDE4A (0.75) KCNH2PDE4ACYP2C9PDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312334-B2 Method of preparing inhibitors phosphodiesterase-4 MERCK & CO. INC. (US) 2007-12-25 US disclosed
US-7312334-B2 Method of preparing inhibitors phosphodiesterase-4 MERCK & CO. INC. (US) 2007-12-25 US disclosed
US-7312334-B2 Method of preparing inhibitors phosphodiesterase-4 MERCK & CO. INC. (US) 2007-12-25 US disclosed
US-20060019981-A1 Method of preparing inhibitors phosphodiesterase-4 MERCK & CO., INC. 2006-01-26 US disclosed
WO-2004048377-A2 METHOD OF PREPARING INHIBITORS OF PHOSPHODIESTERASE-4 MERCK & CO., INC. (US) 2004-06-10 WO disclosed
US-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. 2004-05-27 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 (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-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 PDE4B, PDE4A, PDE5A KCNH2 722/4885PDE4A 2/4885CYP2C9 190/4885
US-20060019981-A1 Method of preparing inhibitors phosphodiesterase-4 PDE4A, PDE5A, PDE3A KCNH2 887/4885PDE4A 1/4885CYP2C9 52/4885

“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.