SCHEMBL7160159

SCHEMBL7160159

Nc1cc2c3c(c1)C(c1ccccc1)=NC(NC(=O)c1ccncc1)C(=O)N3CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 1.00
PDE4B Q07343 20/20 1.00
PDE4C Q08493 20/20 1.00
PDE4D Q08499 20/20 1.00
PDE3B Q13370 14/20 0.86
PDE3A Q14432 14/20 0.86
PDE5A O76074 9/20 0.86
PDE1A P54750 9/20 0.86
PDE1B Q01064 9/20 0.86
PDE1C Q14123 9/20 0.86

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
SCHEMBL5607953 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7159230 0.93 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7159233 0.93 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6441242 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL3805902 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL29357571 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL185627 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6307929 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7675806 0.90 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7673788 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6544983-B2 Administering 3,4,6,7-tetrahydro-(1,4)diazepino(6,7,1-hi)indol-3-yl)-benzamide or nicotamide or isonicotamide or carboxamide derivatives for treatment of chronic obstructive pulmonary disease PFIZER INC 2003-04-08 US claimed
US-20020010175-A1 Diazepinoindoles for the treatment of chronic obstructive pulmonary disease DOHERTY ANNETTE (FR) 2002-01-24 US claimed
EP-0828742-B1 DIAZEPINO-INDOLES AS PHOSPHODIESTERASE IV INHIBITORS JOUVEINAL INST RECH (FR) 2001-12-19 EP claimed
EP-1161949-A1 Use od diazepinoindoles for the treatment of chronic obstructive pulmonary disease WARNER-LAMBERT COMPANY (US) 2001-12-12 EP claimed
EP-1161950-A1 Use of diazepinoindoles for the treatment of chronic obstructive pulmonary disease WARNER-LAMBERT COMPANY (US) 2001-12-12 EP claimed
US-6544983-B2 Administering 3,4,6,7-tetrahydro-(1,4)diazepino(6,7,1-hi)indol-3-yl)-benzamide or nicotamide or isonicotamide or carboxamide derivatives for treatment of chronic obstructive pulmonary disease PFIZER INC 2003-04-08 US disclosed
US-20020119967-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of IL-12-production WARNER-LAMBERT COMPANY 2002-08-29 US disclosed
US-6365585-B1 USED AS ANTI-INFLAMMATORIES, ANTI-ALLERGICS, BRONCHODILATORS OR ANTI-ASTHMATICS AND ARE DEVOID OF DIGESTIVE OR CARDIAC SIDE-EFFECTS WARNER-LAMBERT COMPANY 2002-04-02 US disclosed
US-20020010175-A1 Diazepinoindoles for the treatment of chronic obstructive pulmonary disease DOHERTY ANNETTE (FR) 2002-01-24 US disclosed
EP-1161949-A1 Use od diazepinoindoles for the treatment of chronic obstructive pulmonary disease WARNER-LAMBERT COMPANY (US) 2001-12-12 EP disclosed
EP-1161950-A1 Use of diazepinoindoles for the treatment of chronic obstructive pulmonary disease WARNER-LAMBERT COMPANY (US) 2001-12-12 EP disclosed
US-5972927-A ANTIINFLAMMATORY, ANTIALLERGIC AND BRONCHODILATORY MEDICINAL PRODUCTS, TREATMENT OF ASTHMA JOUVEINAL (FR) 1999-10-26 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-20020010175-A1 Diazepinoindoles for the treatment of chronic obstructive pulmonary disease CYP11B2, CYP11B1, ADRB2 PDE4A 1163/4885PDE4B 980/4885PDE4C 1806/4885

“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.