SCHEMBL2862539

SCHEMBL2862539

COc1cc(O)c2c(c1)[nH]c(=O)c1c(N)n(-c3ccc(Oc4ccccc4)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.44
ESR2 Q92731 1/20 0.44
MGLL Q99685 2/20 0.43
FAAH O00519 1/20 0.43
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NTRK1 P04629 1/20 0.39
IGF1R P08069 1/20 0.39
FGFR1 P11362 1/20 0.39
NTRK2 Q16620 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 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
SCHEMBL2865010 0.89 MGLL (0.43) TDP2MGLLFAAHGAAMAPT
SCHEMBL2861396 0.88 BTK (0.39) TDP2ESR2MGLLNTRK1IGF1R
SCHEMBL2868603 0.85 MGLL (0.40) TDP2MGLLFAAHGAAMAPT
SCHEMBL2868582 0.83 ADORA3 (0.47) TDP2MGLLFAAHGAAMAPT
SCHEMBL2864664 0.83 TDP2 (0.43) TDP2MGLLFAAHGAAMAPT
SCHEMBL2861869 0.82 HIF1A (0.40) TDP2ESR2GAAALDH1A1KMT2A
SCHEMBL2868711 0.81 TDP2 (0.47) TDP2MGLLFAAHMEN1POLB
SCHEMBL2867124 0.81 TDP2 (0.47) TDP2GAAMEN1POLBKMT2A
SCHEMBL2862123 0.80 ALDH1A1 (0.44) TDP2MGLLFAAHGAAMAPT
SCHEMBL2872669 0.80 ESR2 (0.39) ESR2GAAMAPTALDH1A1MEN1

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 TDP2 3548/4885ESR2 2090/4885MGLL 4713/4885

“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.