SCHEMBL6839751

SCHEMBL6839751

CCc1nn(C2CCCC2)c2c1CCn1c(-c3ccccc3)nnc1-2

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.79
PDE4B Q07343 16/20 0.79
PDE4D Q08499 16/20 0.79
PDE4C Q08493 15/20 0.79
ADORA3 P0DMS8 1/20 0.72
ADORA2A P29274 1/20 0.72
ADORA1 P30542 1/20 0.72
CNR1 P21554 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL6358572 0.86 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL6052681 0.84 PDE4A (0.66) PDE4APDE4BPDE4DPDE4CADORA3
Tofimilast SCHEMBL230762 0.84 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL210263 0.81 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
Tofimilast SCHEMBL4914697 0.78 PDE4A (0.86) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7395757 0.75 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL84865 0.75 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL14455896 0.74 PDE4A (0.84) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7374697 0.73 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7398485 0.73 PDE4A (0.96) PDE4APDE4BPDE4DPDE4CADORA3

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-20040147544-A1 Administering by breathing; antiinflammatory agents; respiratory system disorders PFIZER INC. 2004-07-29 US disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 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-20040147544-A1 Administering by breathing; antiinflammatory agents; respiratory system disorders CHRM4, IL4, CHRNA4 PDE4A 26/4885PDE4B 23/4885PDE4D 70/4885

“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.