SCHEMBL4357221

SCHEMBL4357221

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)C1(C(=O)NCc2ccc(C)c(-c3cccc(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.40
RIPK2 O43353 1/20 0.34
CCNT1 O60563 1/20 0.34
PIK3CD O00329 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4346080 0.95 PDE4B (0.43) PDE4BCCNT1MAPK1TP53
SCHEMBL4360896 0.94 PDE4B (0.40) PDE4BCCNT1MAPK1TP53
SCHEMBL4349724 0.94 PDE4B (0.40) PDE4BCCNT1MAPK1TP53
SCHEMBL3427091 0.94 PDE4B (0.39) PDE4BCCNT1MAPK1
SCHEMBL4106607 0.93 PDE4B (0.42) PDE4BRIPK2POLBTP53
SCHEMBL4359945 0.93 PDE4B (0.41) PDE4BRIPK2CCNT1MAPK1TP53
SCHEMBL4355984 0.91 PDE4B (0.43) PDE4BMAPK1
SCHEMBL13750944 0.89 PDE4B (0.43) PDE4BMAPK1
SCHEMBL4100618 0.87 PDE4B (0.42) PDE4BCCNT1MAPK1TP53
SCHEMBL3431327 0.87 PDE4B (0.42) PDE4BCCNT1TP53

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-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090203677-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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A PDE4B 2/4885RIPK2 3428/4885CCNT1 2198/4885

“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.