SCHEMBL2861307

SCHEMBL2861307

Nc1c2c(=O)[nH]c3ccccc3c2nn1-c1cc(O)c(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.43
HSP90AA1 P07900 2/20 0.42
KDM4E B2RXH2 3/20 0.40
HTT P42858 1/20 0.40
DAO P14920 1/20 0.40
TDP2 O95551 1/20 0.39
CHEK1 O14757 1/20 0.38
PTGES O14684 1/20 0.37
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
BLM P54132 1/20 0.36
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IDE P14735 1/20 0.35
MPI P34949 1/20 0.35

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
SCHEMBL2860183 0.87 FGFR1 (0.46) ADORA3HSP90AA1KDM4EHTTDAO
SCHEMBL2871518 0.84 PDE2A (0.47) ADORA3KDM4EHTTCHEK1PTGES
SCHEMBL2859234 0.84 ALOX12 (0.52) ADORA3KDM4EHTTCHEK1MEN1
SCHEMBL2881305 0.84 KDM4E (0.43) ADORA3KDM4EDAOTDP2CHEK1
SCHEMBL2868746 0.83 CHEK1 (0.45) ADORA3KDM4EDAOTDP2CHEK1
SCHEMBL2870546 0.80 PDE2A (0.47) ADORA3KDM4EHTTMEN1HPGD
SCHEMBL2868654 0.80 CHEK1 (0.40) ADORA3KDM4EDAOTDP2CHEK1
SCHEMBL2862105 0.79 CHEK1 (0.43) ADORA3KDM4EDAOTDP2CHEK1
SCHEMBL2864291 0.79 PDE2A (0.42) ADORA3KDM4ECHEK1GAANPSR1
SCHEMBL2857583 0.78 ADORA3 (0.43) ADORA3DAOTDP2CHEK1MEN1

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 1829/4885HSP90AA1 2236/4885KDM4E 1057/4885

“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.