SCHEMBL2865235

SCHEMBL2865235

COc1cccc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.43
CHEK1 O14757 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA3 P0DMS8 6/20 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
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ADORA1 P30542 2/20 0.39
ADRA1B P35368 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL2863364 0.91 KDM4E (0.44) ABCG2CHEK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2863007 0.88 SCN9A (0.39) CHEK1KDM4EALDH1A1SMN1; SMN2ADORA3
SCHEMBL2871372 0.86 ADORA3 (0.39) CHEK1KDM4EADORA3MEN1NPC1
SCHEMBL13025378 0.86 DDB1 (0.39) CHEK1KDM4EALDH1A1SMN1; SMN2ADORA3
SCHEMBL2862965 0.85 PDE10A (0.40) CHEK1KDM4EADORA3NPC1RAB9A
SCHEMBL2871427 0.85 CHEK1 (0.39) CHEK1KDM4EALDH1A1ADORA3
SCHEMBL2864390 0.85 KDM4E (0.43) ABCG2CHEK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2862105 0.85 CHEK1 (0.43) CHEK1KDM4EALDH1A1ADORA3MEN1
SCHEMBL2866943 0.85 CHEK1 (0.36) CHEK1KDM4EALDH1A1ADORA3MEN1
SCHEMBL2860409 0.84 ADORA3 (0.37) CHEK1KDM4EADORA3ATMADORA1

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 6 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-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 ABCG2 817/4885CHEK1 605/4885KDM4E 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.