SCHEMBL2867321

SCHEMBL2867321

Nc1c2c(=O)[nH]c3ccccc3c2nn1-c1ccccc1OCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHEK1 O14757 1/20 0.39
TDP2 O95551 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
LYN P07948 1/20 0.37
SRC P12931 1/20 0.37
MAPK14 Q16539 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
PARP1 P09874 1/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 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
SCHEMBL2871427 0.92 CHEK1 (0.39) KDM4EALDH1A1HPGDTDP1CHEK1
SCHEMBL2862269 0.92 KDM4E (0.40) KDM4EALDH1A1HPGDCHEK1ADORA3
SCHEMBL2877094 0.91 FABP3 (0.38) KDM4EALDH1A1HPGDTDP1CHEK1
SCHEMBL2865208 0.89 GAA (0.43) KDM4EALDH1A1HPGDTDP1CHEK1
SCHEMBL13025371 0.89 KDM4E (0.40) KDM4EALDH1A1HPGDCHEK1ADORA3
SCHEMBL2871151 0.86 ADORA3 (0.38) KDM4EALDH1A1CHEK1TDP2ADORA3
SCHEMBL2877096 0.86 CHEK1 (0.39) KDM4EALDH1A1HPGDTDP1CHEK1
SCHEMBL2865413 0.86 CTSS (0.37) KDM4EALDH1A1HPGDTDP1MEN1
SCHEMBL2863364 0.84 KDM4E (0.44) KDM4EALDH1A1CHEK1ADORA3PARP1
SCHEMBL2857762 0.83 SCN9A (0.41) KDM4EALDH1A1CHEK1ADORA3PARP1

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 KDM4E 1057/4885ALDH1A1 2391/4885HPGD 683/4885

“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.