SCHEMBL5451484

SCHEMBL5451484

CCOc1ccc(-c2nn3ncccc3c2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.60
PTGS1 P23219 2/20 0.59
BCL2 P10415 2/20 0.44
MDM2 Q00987 2/20 0.44
MCL1 Q07820 2/20 0.44
AURKA O14965 3/20 0.41
GSK3B P49841 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
PKM P14618 1/20 0.40
THRB P10828 1/20 0.40
ALPL P05186 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL5448909 0.88 PTGS2 (0.58) PTGS2PTGS1AURKAGSK3BKMT2A
SCHEMBL14709967 0.80 PTGS2 (0.44) PTGS2PTGS1AURKAGSK3BMEN1
SCHEMBL4472139 0.77 PTGS1 (0.58) PTGS2PTGS1GSK3BMEN1KMT2A
SCHEMBL5455747 0.76 PTGS1 (0.57) PTGS2PTGS1GSK3BMEN1KMT2A
Gw-406381 SCHEMBL309320 0.75 PTGS2 (1.00) PTGS2PTGS1
Gw-406381 SCHEMBL7509921 0.74 PTGS2 (0.98) PTGS2PTGS1
SCHEMBL5458900 0.74 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL4471819 0.74 PTGS2 (0.52) PTGS2PTGS1GSK3BMEN1KMT2A
SCHEMBL4511717 0.72 PTGS2 (0.81) PTGS2PTGS1GSK3B
SCHEMBL4478240 0.71 PTGS2 (0.56) PTGS2PTGS1GSK3BPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270428-A1 Use of Cyclooxygenase-2 Inhibitors for the Treatment of Depressive Disorders GLAXO GROUP LIMITED (GB) 2007-11-22 US disclosed
US-20070142411-A1 Use of cyclooxygenase-2 selective inhibitors for the treatment of schizophrenic disorders GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
EP-1687000-A2 USE OF CYCLOOXYGENASE-2 INHIBITORS FOR THE TREATMENT OF DEPRESSIVE DISORDERS GLAXO GROUP LIMITED (GB) 2006-08-09 EP disclosed
EP-1687001-A2 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS FOR THE TREATMENT OF SCHIZOPHRENIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-08-09 EP disclosed
EP-1510519-B1 Pharmaceutical compositions comprising 2,3-diarylpyrazolo[1,5-B]pyridazine derivatives GLAXO GROUP LTD (GB) 2006-02-15 EP disclosed
WO-2005048999-A2 USE OF CYCLOOXYGENASE-2 INHIBITORS FOR THE TREATMENT OF DEPRESSIVE DISORDERS GLAXO GROUP LIMITED (GB) 2005-06-02 WO disclosed
WO-2005049034-A2 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS FOR THE TREATMENT OF SCHIZOPHRENIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-06-02 WO disclosed
US-20050113377-A1 2,3-diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase, 2 (COX-2) inhibitors BESWICK PAUL J (GB) 2005-05-26 US disclosed
EP-1510519-A1 Pharmaceutical compositions comprising 2,3-diarylpyrazolo[1,5-B]pyridazine derivatives GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
US-6861429-B2 2,3-diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-03-01 US disclosed
US-6831097-B2 For therapy of pain, fever, inflammation of a variety of conditions and diseases SMITHKLINE BEECHAM CORPORATION 2004-12-14 US disclosed
EP-1369421-B1 Pharmaceutical compositions comprising 2,3-Diaryl-pyrazolo[1,5-B]pyridazine derivatives GLAXO GROUP LTD (GB) 2004-11-03 EP disclosed
EP-1369421-A1 Pharmaceutical compositions comprising 2,3-Diaryl-pyrazolo[1,5-B]pyridazine derivatives GLAXO GROUP LIMITED (GB) 2003-12-10 EP disclosed
EP-1032575-B1 2,3-DIARYL-PYRAZOLO(1,5-B)PYRIDAZINES DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS GLAXO GROUP LTD (GB) 2003-07-23 EP disclosed
US-20030040517-A1 2,3-Diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase 2 (COX-2) inhibirors SMITHKLINE BEECHAM CORPORATION 2003-02-27 US disclosed
US-20030008872-A1 2,3-Diaryl-pyrazolo[1,5-B]pyridazines derivatives, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors BESWICK PAUL JOHN (GB) 2003-01-09 US disclosed
US-6451794-B1 2,3-Diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase 2(COX-2) inhibitors SMITHKLINE BEECHAM CORPORATION 2002-09-17 US disclosed
EP-1032575-A1 2,3-DIARYL-PYRAZOLO(1,5-B)PYRIDAZINES DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-06 EP disclosed
WO-1999012930-A1 2,3-DIARYL-PYRAZOLO[1,5-B]PYRIDAZINES DERIVATIVES, THEIR PREPA RATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS GLAXO GROUP LIMITED (GB) 1999-03-18 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 (5 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-20070270428-A1 Use of Cyclooxygenase-2 Inhibitors for the Treatment of Depressive Disorders TPH2, PTGS2, PTGES2 PTGS2 2/4885PTGS1 13/4885BCL2 933/4885
US-20050113377-A1 2,3-diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase, 2 (COX-2) inhibitors PTGER1, NCOA1, NCOR2 PTGS2 13/4885PTGS1 4/4885BCL2 1327/4885
US-20030008872-A1 2,3-Diaryl-pyrazolo[1,5-B]pyridazines derivatives, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors PTGS1, CBR1, PTGER1 PTGS2 6/4885PTGS1 1/4885BCL2 1615/4885
US-20030040517-A1 2,3-Diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase 2 (COX-2) inhibirors CBR1, CRHR1, CRHR2 PTGS2 17/4885PTGS1 5/4885BCL2 1272/4885
US-20070142411-A1 Use of cyclooxygenase-2 selective inhibitors for the treatment of schizophrenic disorders PTGES2, PTGER2, PTGDR2 PTGS2 5/4885PTGS1 10/4885BCL2 3084/4885

“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.