SCHEMBL2863364

SCHEMBL2863364

COc1ccccc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA3 P0DMS8 6/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
CHEK1 O14757 1/20 0.42
ADORA1 P30542 3/20 0.42
ADRA1B P35368 5/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
PARP1 P09874 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL2865235 0.91 ABCG2 (0.43) KDM4EALDH1A1SMN1; SMN2ADORA3ABCG2
SCHEMBL2857762 0.88 SCN9A (0.41) KDM4EALDH1A1SMN1; SMN2ADORA3CHEK1
SCHEMBL2865205 0.88 ADORA3 (0.47) KDM4EALDH1A1SMN1; SMN2ADORA3ABCG2
SCHEMBL2864390 0.87 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2ADORA3ABCG2
SCHEMBL13025371 0.85 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2ADORA3CHEK1
SCHEMBL2859234 0.85 ALOX12 (0.52) KDM4EALDH1A1SMN1; SMN2ADORA3ABCG2
SCHEMBL2871151 0.84 ADORA3 (0.38) KDM4EALDH1A1ADORA3CHEK1ADORA1
SCHEMBL2872755 0.84 CHEK1 (0.40) KDM4EALDH1A1SMN1; SMN2ADORA3ABCG2
SCHEMBL2867321 0.84 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2ADORA3CHEK1
SCHEMBL2862269 0.84 KDM4E (0.40) KDM4EALDH1A1ADORA3CHEK1ADORA1

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 2391/4885SMN1; SMN2 4851/4885

“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.