SCHEMBL6233772

SCHEMBL6233772

COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1CN1CN=CN1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.56
PDE4B Q07343 20/20 0.56
PDE4C Q08493 20/20 0.56
PDE4D Q08499 20/20 0.56

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
SCHEMBL6233764 0.82 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL7984800 0.76 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585373 0.75 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL6588638 0.74 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL6228197 0.72 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL6590136 0.71 PDE4D (0.98) PDE4APDE4BPDE4CPDE4D
SCHEMBL8344691 0.71 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL7450274 0.71 PDE4D (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586317 0.71 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6233865 0.70 PDE4D (0.31) PDE4APDE4BPDE4CPDE4D

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
EP-1517707-A1 TREATMENT FOR DEPRESSION AND ANXIETY WITH THE COMBINATION OF A PDE IV INHIBITOR AND AN ANTIDEPRESSANT OR AN ANXIOLYTIC AGENT Pfizer Products Inc. (US) 2005-03-30 EP claimed
EP-1515708-A1 COMBINATIONS OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION Pfizer Products Inc. (US) 2005-03-23 EP claimed
US-20040001895-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-01 US claimed
US-20030235631-A1 Combination treatment for depression and anxiety PFIZER INC. 2003-12-25 US claimed
WO-2003105902-A1 TREATMENT FOR DEPRESSION AND ANXIETY BY THE COMBINATION OF A PDE IV INHIBITOR AND AN ANTIDEPRESSANT OR AN ANXIOLYTIC AGENT PFIZER PRODUCTS INC. (US) 2003-12-24 WO claimed
WO-2003105815-A1 COMBINATION OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION PFIZER PRODUCTS INC. (US) 2003-12-24 WO claimed
US-20030235631-A1 Combination treatment for depression and anxiety PFIZER INC. 2003-12-25 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-20040001895-A1 Combination treatment for depression and anxiety TACR1, NPSR1, ADORA1 PDE4A 13/4885PDE4B 30/4885PDE4C 64/4885
US-20030235631-A1 Combination treatment for depression and anxiety PDE3B, PDE2A, PDE3A PDE4A 4/4885PDE4B 6/4885PDE4C 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.