SCHEMBL2859285

SCHEMBL2859285

Nc1c2c(=O)[nH]c3ccccc3c2nn1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.48
CA12 O43570 6/20 0.47
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA9 Q16790 6/20 0.47
ALOX5 P09917 1/20 0.44
PDPK1 O15530 1/20 0.43
PTGS1 P23219 1/20 0.41
CDK2 P24941 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
TDP2 O95551 1/20 0.41
ADORA3 P0DMS8 4/20 0.41
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
LYN P07948 1/20 0.40
SRC P12931 1/20 0.40
MAPK14 Q16539 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
SCHEMBL2869193 0.90 TDP2 (0.43) PTGS2CA12CA1CA2CA9
SCHEMBL2861092 0.86 ADORA3 (0.53) PTGS2CA12CA9TDP2ADORA3
SCHEMBL13067107 0.85 TDP2 (0.44) TDP2ADORA3ABL1LCKFYN
SCHEMBL2877778 0.84 TDP2 (0.49) TDP2ADORA3ABL1LCKFYN
SCHEMBL2872710 0.84 ADORA3 (0.57) TDP2ADORA3ABL1LCKFYN
SCHEMBL2858978 0.81 ADORA3 (0.60) CA9ADORA3
SCHEMBL2859052 0.79 TDP2 (0.45) TDP2ADORA3ABL1LCKFYN
SCHEMBL13025223 0.78 TDP2 (0.38) TDP2ADORA3ABL1LCKFYN
SCHEMBL2881305 0.77 KDM4E (0.43) TDP2ADORA3ABL1LCKFYN
SCHEMBL2863178 0.77 ADORA3 (0.57) TDP2ADORA3ABL1LCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
EP-1719771-A1 PYRAZOLOQUINOLONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-11-08 EP 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-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof MAP3K20, MAP4K5, MAP4K3 PTGS2 866/4885CA12 4729/4885CA1 3894/4885

“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.