SCHEMBL2877778

SCHEMBL2877778

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.49
ADORA3 P0DMS8 9/20 0.47
ADORA1 P30542 2/20 0.47
ADORA2A P29274 1/20 0.47
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
LYN P07948 1/20 0.43
SRC P12931 1/20 0.43
MAPK14 Q16539 1/20 0.43
CHEK1 O14757 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 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
SCHEMBL2861092 0.90 ADORA3 (0.53) TDP2ADORA3ABL1LCKFYN
SCHEMBL13067107 0.89 TDP2 (0.44) TDP2ADORA3ADORA1ABL1LCK
SCHEMBL2872710 0.88 ADORA3 (0.57) TDP2ADORA3ABL1LCKFYN
SCHEMBL2878474 0.87 TDP2 (0.49) TDP2ADORA3ADORA1ABL1LCK
SCHEMBL2868597 0.85 TDP2 (0.56) TDP2ADORA3ADORA1ADORA2AABL1
SCHEMBL2858978 0.84 ADORA3 (0.60) ADORA3ADORA1KDM4EALDH1A1MAPT
SCHEMBL2859285 0.84 PTGS2 (0.48) TDP2ADORA3ABL1LCKFYN
SCHEMBL2869193 0.83 TDP2 (0.43) TDP2ADORA3ADORA1ABL1LCK
SCHEMBL2881305 0.82 KDM4E (0.43) TDP2ADORA3ADORA1ABL1LCK
SCHEMBL2857583 0.82 ADORA3 (0.43) TDP2ADORA3ADORA1CHEK1MEN1

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 7 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-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
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
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 TDP2 3548/4885ADORA3 1829/4885ADORA1 2477/4885

“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.