SCHEMBL2858978

SCHEMBL2858978

COc1ccc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.60
ADORA1 P30542 2/20 0.57
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 3/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 1/20 0.45
RIOK2 Q9BVS4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NR2F2 P24468 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2862967 0.89 ADORA3 (0.58) ADORA3ADORA1MAPTALDH1A1KMT2A
SCHEMBL2861092 0.86 ADORA3 (0.53) ADORA3KMT2AMEN1TP53KDM4E
SCHEMBL2864315 0.86 ADORA3 (0.50) ADORA3ADORA1ALDH1A1GAAPOLB
SCHEMBL13067107 0.85 TDP2 (0.44) ADORA3ADORA1KMT2AMEN1TP53
SCHEMBL2868582 0.85 ADORA3 (0.47) ADORA3ADORA1MAPTALDH1A1GAA
SCHEMBL2862983 0.84 GAA (0.46) ADORA3ADORA1MAPTALDH1A1GAA
SCHEMBL2877778 0.84 TDP2 (0.49) ADORA3ADORA1MAPTALDH1A1GAA
SCHEMBL2872710 0.84 ADORA3 (0.57) ADORA3MAPTALDH1A1GAAKMT2A
SCHEMBL2868559 0.84 ADORA3 (0.47) ADORA3ADORA1MAPTALDH1A1KMT2A
SCHEMBL2865205 0.84 ADORA3 (0.47) ADORA3ADORA1MAPTALDH1A1KMT2A

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 ADORA3 1829/4885ADORA1 2477/4885MAPT 4583/4885

“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.