SCHEMBL2862053

SCHEMBL2862053

Cc1c(OCc2nnn[nH]2)cccc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
ADORA3 P0DMS8 4/20 0.33
ADRA1B P35368 5/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL2862965 0.83 PDE10A (0.40) CHEK1ADORA3ADRA1BADRA1DADRA1A
SCHEMBL2863007 0.82 SCN9A (0.39) CHEK1ADORA3
SCHEMBL2871372 0.82 ADORA3 (0.39) CHEK1ADORA3MEN1KMT2APARP1
SCHEMBL2865235 0.82 ABCG2 (0.43) CHEK1ADORA3ADRA1BADRA1DADRA1A
SCHEMBL2871427 0.81 CHEK1 (0.39) CHEK1ADORA3
SCHEMBL2864837 0.80 DDB1 (0.41) CHEK1ADORA3MEN1KMT2A
SCHEMBL2860409 0.80 ADORA3 (0.37) CHEK1ADORA3PARP1
SCHEMBL13025378 0.80 DDB1 (0.39) CHEK1ADORA3MEN1KMT2A
SCHEMBL2870391 0.77 DDB1 (0.39) CHEK1MEN1KMT2A
SCHEMBL2862105 0.76 CHEK1 (0.43) CHEK1ADORA3MEN1KMT2APARP1

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 CHEK1 605/4885ADORA3 1829/4885ADRA1B 1134/4885

“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.