SCHEMBL2859052

SCHEMBL2859052

Nc1cccc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.45
ADORA3 P0DMS8 6/20 0.45
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
LYN P07948 1/20 0.44
SRC P12931 1/20 0.44
MAPK14 Q16539 1/20 0.44
ADORA1 P30542 2/20 0.42
PARP1 P09874 1/20 0.42
CHEK1 O14757 1/20 0.41

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 0.89 ADORA3 (0.53) TDP2ADORA3ABL1LCKFYN
SCHEMBL2878474 0.88 TDP2 (0.49) TDP2ADORA3ABL1LCKFYN
SCHEMBL2863178 0.88 ADORA3 (0.57) TDP2ADORA3ABL1LCKFYN
SCHEMBL2868721 0.86 ADORA3 (0.45) TDP2ADORA3ABL1LCKFYN
SCHEMBL2862967 0.86 ADORA3 (0.58) ADORA3ADORA1
SCHEMBL2864776 0.86 TDP2 (0.45) TDP2ADORA3ABL1LCKFYN
SCHEMBL2865387 0.85 TDP2 (0.46) TDP2ADORA3ABL1LCKFYN
SCHEMBL2862311 0.85 KMT2A (0.52) TDP2ADORA3ABL1LCKFYN
SCHEMBL2870429 0.84 PTGS2 (0.51) ADORA3MAPK14ADORA1PARP1
SCHEMBL2867582 0.84 TDP2 (0.52) 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 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 1829/4885ABL1 22/4885

“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.