SCHEMBL642047

SCHEMBL642047

O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1

nearest known ligand 0.91

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.91
CCKAR P32238 11/20 0.91
BDKRB1 P46663 1/20 0.70

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
SCHEMBL9526707 0.95 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526696 0.95 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526843 0.93 CCKBR (1.00) CCKBRCCKAR
SCHEMBL641924 0.93 CCKBR (0.83) CCKBRCCKAR
SCHEMBL9526638 0.93 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526387 0.92 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526895 0.92 CCKBR (1.00) CCKBRCCKAR
SCHEMBL643278 0.92 CCKBR (0.85) CCKBRCCKARBDKRB1
SCHEMBL9526394 0.92 CCKBR (1.00) CCKBRCCKAR
SCHEMBL643031 0.90 CCKBR (0.74) CCKBRCCKAR

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853204-B2 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the RSV fusion protein ARROW THERAPEUTICS LIMITED (GB) 2014-10-07 US claimed
EP-1727550-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-07-29 EP claimed
US-20070293482-A1 Process for Preparing Benzodiazepines NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-12-20 US claimed
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALA CORPORATION (US) 2007-06-21 US claimed
EP-1727550-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP claimed
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005089769-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBIT OR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
US-8853204-B2 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the RSV fusion protein ARROW THERAPEUTICS LIMITED (GB) 2014-10-07 US disclosed
EP-1441715-B1 LIPOXINS AND ASPIRIN-TRIGGERED LIPOXINS AND THEIR STABLE ANALOGS IN THE TREATMENT OF ASTHMA AND INFLAMMATORY AIRWAY DISEASES BRIGHAM & WOMENS HOSPITAL (US) 2013-02-27 EP disclosed
EP-1911448-B1 Lipoxins and Aspirin-triggered lipoxins and their stable analogs in the treatment of asthma and inflammatory airway diseases BRIGHAM & WOMENS HOSPITAL (US) 2013-01-02 EP disclosed
US-20120149771-A1 METHOD FOR TREATING AIRWAY HYPER-RESPONSIVENESS WITH LIPOXIN ANALOGS THE BRIGHAM AND WOMEN'S HOSPITAL (US) 2012-06-14 US disclosed
US-8119630-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2012-02-21 US disclosed
US-8119691-B2 Method for treating airway hyper-responsiveness with lipoxin analogs NATIONAL INSTITUTES OF HEALTH (NIH) (US) 2012-02-21 US disclosed
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO disclosed
WO-2005089769-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBIT OR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO disclosed
EP-1539716-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Arrow Therapeutics Limited (GB) 2005-06-15 EP disclosed
EP-1441715-A1 LIPOXINS AND ASPIRIN-TRIGGERED LIPOXINS AND THEIR STABLE ANALOGS IN THE TREATMENT OF ASTHMA AND INFLAMMATORY AIRWAY DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2004-08-04 EP disclosed
WO-2004026843-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ARROW THERAPEUTICS LIMITED (GB) 2004-04-01 WO disclosed
US-20030166716-A1 Lipoxins and aspirin-triggered lipoxins and their stable analogs in the treatment of asthma and inflammatory airway diseases BRIGHAM AND WOMEN'S HOSPITAL, THE 2003-09-04 US disclosed
WO-2003039533-A1 LIPOXINS AND ASPIRIN-TRIGGERED LIPOXINS AND THEIR STABLE ANALOGS IN THE TREATMENT OF ASTHMA AND INFLAMMATORY AIRWAY DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2003-05-15 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 (4 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-20120149771-A1 METHOD FOR TREATING AIRWAY HYPER-RESPONSIVENESS WITH LIPOXIN ANALOGS LTB4R, LTB4R2, ALOX15B CCKBR 2983/4885CCKAR 3213/4885BDKRB1 235/4885
US-20070293482-A1 Process for Preparing Benzodiazepines CNR1, SIGMAR1, GABRA3 CCKBR 246/4885CCKAR 114/4885BDKRB1 217/4885
US-20030166716-A1 Lipoxins and aspirin-triggered lipoxins and their stable analogs in the treatment of asthma and inflammatory airway diseases ALOX15B, LTA4H, ALOX15 CCKBR 4261/4885CCKAR 3572/4885BDKRB1 672/4885
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein GABRP, TSPO, GABRA1 CCKBR 2243/4885CCKAR 2354/4885BDKRB1 2284/4885

“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.