SCHEMBL2862861

SCHEMBL2862861

CN1CCN(CCS(=O)(=O)Nc2ccc3c(c2)[nH]c(=O)c2c(N)n(-c4ccccc4)nc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.38
BRD4 O60885 4/20 0.37
TDP2 O95551 1/20 0.37
PDGFRB P09619 3/20 0.36
FGFR1 P11362 3/20 0.36
KDR P35968 3/20 0.36
HRH4 Q9H3N8 3/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
LYN P07948 1/20 0.36
SRC P12931 1/20 0.36
MAPK14 Q16539 1/20 0.36
PTGS2 P35354 1/20 0.36
PARP1 P09874 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
KHK P50053 1/20 0.34

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
SCHEMBL2862306 0.87 KHK (0.45) TDP2PDGFRBFGFR1KDRABL1
SCHEMBL2868580 0.85 KHK (0.42) TDP2PDGFRBFGFR1KDRABL1
SCHEMBL2862297 0.84 TERT (0.52) ADORA3ADORA2AADORA1KHK
SCHEMBL14375232 0.83 BRD4 (0.40) MAP4K4BRD4TDP2KDRABL1
SCHEMBL2864188 0.83 PARP1 (0.49) PARP1ADORA3ADORA2AADORA1KHK
SCHEMBL2872630 0.79 HTR7 (0.42) TDP2PDGFRBFGFR1KDRPARP1
SCHEMBL2869212 0.77 HTR7 (0.43) TDP2PDGFRBFGFR1KDRSRC
SCHEMBL2856171 0.77 FGFR1 (0.38) FGFR1SRC
SCHEMBL2881792 0.75 FGFR1 (0.46) PDGFRBFGFR1KDRMAPK14PARP1
SCHEMBL2857668 0.74 HRH4 (0.45) HRH4ADORA2AADORA1

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 6 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
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 MAP4K4 13/4885BRD4 428/4885TDP2 3548/4885

“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.