SCHEMBL5455747

SCHEMBL5455747

COC(=O)c1c(-c2ccc(OC)cc2)nn2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.57
GSK3B P49841 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PTGS2 P35354 5/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
ATM Q13315 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
ALPL P05186 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4472139 0.89 PTGS1 (0.58) PTGS1GSK3BL3MBTL1ALDH1A1MEN1
SCHEMBL5448909 0.88 PTGS2 (0.58) PTGS1GSK3BALDH1A1KMT2APTGS2
SCHEMBL14709966 0.88 RAB9A (0.47) PTGS1GSK3BMEN1KMT2APTGS2
SCHEMBL4475965 0.81 PTGS1 (0.53) PTGS1GSK3BALDH1A1MEN1KMT2A
SCHEMBL4475955 0.81 PTGS1 (0.53) PTGS1GSK3BALDH1A1MEN1KMT2A
SCHEMBL26116279 0.77 HPGD (0.46) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL5451484 0.76 PTGS2 (0.60) PTGS1GSK3BALDH1A1MEN1KMT2A
SCHEMBL15897471 0.75 HTT (0.49) PTGS1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4471819 0.73 PTGS2 (0.52) PTGS1GSK3BMEN1KMT2APTGS2
SCHEMBL4478240 0.73 PTGS2 (0.56) PTGS1GSK3BPTGS2

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-2005049034-A2 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS FOR THE TREATMENT OF SCHIZOPHRENIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-06-02 WO disclosed
WO-2005048999-A2 USE OF CYCLOOXYGENASE-2 INHIBITORS FOR THE TREATMENT OF DEPRESSIVE 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 PTGS1 13/4885GSK3B 712/4885L3MBTL1 4772/4885
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 PTGS1 4/4885GSK3B 3773/4885L3MBTL1 3728/4885
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 PTGS1 1/4885GSK3B 3985/4885L3MBTL1 3173/4885
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 PTGS1 5/4885GSK3B 3683/4885L3MBTL1 4051/4885
US-20070142411-A1 Use of cyclooxygenase-2 selective inhibitors for the treatment of schizophrenic disorders PTGES2, PTGER2, PTGDR2 PTGS1 10/4885GSK3B 3973/4885L3MBTL1 4726/4885

“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.