SCHEMBL2857762

SCHEMBL2857762

COCCOc1ccccc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.41
ADORA3 P0DMS8 7/20 0.39
CHEK1 O14757 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ADORA1 P30542 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
ATM Q13315 1/20 0.37
ADRA1B P35368 2/20 0.36
PARP1 P09874 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
SCHEMBL2863007 0.93 SCN9A (0.39) SCN9AADORA3CHEK1KDM4EALDH1A1
SCHEMBL2871151 0.88 ADORA3 (0.38) ADORA3CHEK1KDM4EALDH1A1ADORA1
SCHEMBL2863364 0.88 KDM4E (0.44) ADORA3CHEK1KDM4EALDH1A1ADORA1
SCHEMBL13025371 0.85 KDM4E (0.40) ADORA3CHEK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2867321 0.83 KDM4E (0.39) ADORA3CHEK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2862269 0.83 KDM4E (0.40) ADORA3CHEK1KDM4EALDH1A1ADORA1
SCHEMBL2871372 0.83 ADORA3 (0.39) ADORA3CHEK1KDM4EADORA1ATM
SCHEMBL2865208 0.83 GAA (0.43) ADORA3CHEK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2861079 0.83 ADORA3 (0.48) ADORA3KDM4EALDH1A1ADORA1SMN1; SMN2
SCHEMBL2865235 0.82 ABCG2 (0.43) ADORA3CHEK1KDM4EALDH1A1ADORA1

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 SCN9A 3939/4885ADORA3 1829/4885CHEK1 605/4885

“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.