SCHEMBL2863178

SCHEMBL2863178

Nc1c2c(=O)[nH]c3ccccc3c2nn1-c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.57
TDP2 O95551 1/20 0.46
MAPK14 Q16539 2/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
LYN P07948 1/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ADORA1 P30542 3/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
CHEK1 O14757 1/20 0.40
ADORA2A P29274 1/20 0.39

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
SCHEMBL2859052 0.88 TDP2 (0.45) ADORA3TDP2MAPK14ABL1LCK
SCHEMBL2861092 0.86 ADORA3 (0.53) ADORA3TDP2MAPK14ABL1LCK
SCHEMBL2878474 0.86 TDP2 (0.49) ADORA3TDP2MAPK14ABL1LCK
SCHEMBL2862311 0.85 KMT2A (0.52) ADORA3TDP2MAPK14ABL1LCK
SCHEMBL2868721 0.84 ADORA3 (0.45) ADORA3TDP2MAPK14ABL1LCK
SCHEMBL2864776 0.84 TDP2 (0.45) ADORA3TDP2MAPK14ABL1LCK
SCHEMBL2862967 0.84 ADORA3 (0.58) ADORA3LMNATP53ADORA1MAPT
SCHEMBL2865387 0.83 TDP2 (0.46) ADORA3TDP2MAPK14ABL1LCK
SCHEMBL2857795 0.83 ADORA3 (0.45) ADORA3TDP2MAPK14ABL1LCK
SCHEMBL2870429 0.82 PTGS2 (0.51) ADORA3MAPK14ADORA1NPC1MAPT

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 1829/4885TDP2 3548/4885MAPK14 103/4885

“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.