SCHEMBL2868580

SCHEMBL2868580

CN1CCN(CCCNc2ccc3c(c2)[nH]c(=O)c2c(N)n(-c4ccccc4)nc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.42
TDP2 O95551 1/20 0.40
HTR7 P34969 5/20 0.39
SRC P12931 2/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
LYN P07948 1/20 0.39
MAPK14 Q16539 1/20 0.39
FGFR1 P11362 3/20 0.39
PDGFRB P09619 2/20 0.39
KDR P35968 2/20 0.39
DRD2 P14416 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KAT2B Q92831 1/20 0.37
PTGS2 P35354 1/20 0.36
RAD52 P43351 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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 0.96 KHK (0.45) KHKTDP2HTR7SRCABL1
SCHEMBL2856171 0.91 FGFR1 (0.38) HTR7SRCFGFR1DRD2RAD52
SCHEMBL2869212 0.91 HTR7 (0.43) KHKTDP2HTR7SRCFGFR1
SCHEMBL2872630 0.87 HTR7 (0.42) KHKTDP2HTR7FGFR1PDGFRB
SCHEMBL2862861 0.85 MAP4K4 (0.38) KHKTDP2SRCABL1LCK
SCHEMBL2862297 0.85 TERT (0.52) KHKL3MBTL1
SCHEMBL2864188 0.84 PARP1 (0.49) KHKRAB9A
SCHEMBL14375231 0.83 TDP2 (0.41) TDP2SRCABL1LCKFYN
SCHEMBL2860907 0.82 PIK3CD (0.44) HTR7NPC1RAB9ARAD52L3MBTL1
SCHEMBL2861162 0.82 HTR7 (0.40) TDP2HTR7DRD2NPC1RAB9A

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 KHK 192/4885TDP2 3548/4885HTR7 713/4885

“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.