SCHEMBL4087649

SCHEMBL4087649

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(C)c(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.43
MAPK14 Q16539 1/20 0.35
ADORA2A P29274 1/20 0.35
ROCK2 O75116 1/20 0.34
TP53 P04637 2/20 0.34
CHRM3 P20309 1/20 0.34
POLB P06746 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 0.93 PDE4B (0.42) PDE4BTP53POLB
SCHEMBL4359945 0.93 PDE4B (0.41) PDE4BADORA2AROCK2TP53
SCHEMBL4099311 0.93 PDE4B (0.47) PDE4BMAPK14CHRM3
SCHEMBL4095135 0.92 PDE4B (0.46) PDE4BMAPK14CHRM3
SCHEMBL4088630 0.92 PDE4B (0.46) PDE4BMAPK14CHRM3
SCHEMBL4088626 0.91 PDE4B (0.46) PDE4BMAPK14CHRM3
SCHEMBL3431618 0.90 PDE4B (0.46) PDE4BMAPK14CHRM3
SCHEMBL4088336 0.90 PDE4B (0.44) PDE4BMAPK14CHRM3
Hydrochloric Acid SCHEMBL4093095 0.90 PDE4B (0.45) PDE4BMAPK14CHRM3
SCHEMBL1362509 0.90 PDE4B (0.47) PDE4BADORA2ACHRM3

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 7 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
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO 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 3/4885MAPK14 3267/4885ADORA2A 291/4885

“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.