SCHEMBL2864466

SCHEMBL2864466

Nc1c2c(=O)[nH]c3ccccc3c2nn1-c1ccc(Oc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.51
BTK Q06187 3/20 0.36
ADORA3 P0DMS8 4/20 0.35
TDP2 O95551 1/20 0.35
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
LYN P07948 1/20 0.34
SRC P12931 1/20 0.34
MAPK14 Q16539 1/20 0.34
SCN9A Q15858 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
ADORA1 P30542 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PARP1 P09874 1/20 0.33
CHEK1 O14757 1/20 0.33
RIOK2 Q9BVS4 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL2858480 0.85 BTK (0.41) BTKADORA3ADORA1CHEK1
SCHEMBL2868721 0.82 ADORA3 (0.45) MGLLADORA3TDP2ABL1LCK
SCHEMBL2859221 0.76 CYP1A2 (0.39) BTKTDP2
SCHEMBL2865015 0.76 BTK (0.41) BTKADORA3ADORA1CHEK1RIOK2
SCHEMBL2867684 0.75 LMNA (0.42) BTKADORA3ADORA1CHEK1
SCHEMBL2861352 0.75 FGFR1 (0.37) BTKADORA3TDP2ADORA1CHEK1
SCHEMBL2868573 0.75 ADORA3 (0.39) BTKADORA3ADORA1CHEK1
SCHEMBL2865377 0.74 BTK (0.41) BTKADORA3CHEK1
SCHEMBL2862706 0.74 RARG (0.41) BTKADORA3CHEK1
SCHEMBL2868559 0.73 ADORA3 (0.47) ADORA3ADORA1CHEK1

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 MGLL 4713/4885BTK 272/4885ADORA3 1829/4885

“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.