SCHEMBL3431327

SCHEMBL3431327

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.42
TP53 P04637 3/20 0.36
CHRM3 P20309 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
KCNH2 Q12809 1/20 0.36
CCNT1 O60563 1/20 0.35
MMP13 P45452 1/20 0.34
GLS O94925 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL4106607 0.94 PDE4B (0.42) PDE4BTP53MMP13
SCHEMBL4100618 0.94 PDE4B (0.42) PDE4BTP53CCNT1LMNAMAPT
SCHEMBL3431250 0.93 PDE4B (0.42) PDE4BMMP13GLS
SCHEMBL4349724 0.93 PDE4B (0.40) PDE4BTP53CHRM3CHRM2CHRM1
SCHEMBL4098977 0.91 PDE4B (0.46) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL1364224 0.90 PDE4B (0.40) PDE4BTP53CHRM3CHRM2CHRM1
SCHEMBL4095093 0.89 PDE4B (0.46) PDE4BCHRM3CHRM2CHRM1KCNH2
SCHEMBL4102650 0.88 PDE4B (0.45) PDE4BTP53LMNAMAPT
SCHEMBL4346080 0.88 PDE4B (0.43) PDE4BTP53CCNT1LMNAMAPT
SCHEMBL4357221 0.87 PDE4B (0.40) PDE4BTP53CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
EP-2259681-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-12-15 EP disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B PDE4B 3/4885TP53 4228/4885CHRM3 8/4885

“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.