SCHEMBL728854

SCHEMBL728854

O=C(O)Cc1c2c(nn1-c1ccccc1)c(=O)[nH]c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.45
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ADORA1 P30542 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
EGFR P00533 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL728613 0.88 ADORA3 (0.47) ADORA3ALDH1A1ADORA1PARP1
SCHEMBL735233 0.86 KDM4E (0.51) ADORA3KDM4EALDH1A1GAA
SCHEMBL730873 0.85 ADORA3 (0.45) ADORA3ADORA1PARP1
SCHEMBL728568 0.85 ADORA3 (0.47) ADORA3KDM4EALDH1A1ADORA1
Hydrochloric Acid SCHEMBL728635 0.84 ADORA3 (0.46) ADORA3KDM4EALDH1A1MAPTADORA1
SCHEMBL730519 0.84 ALDH1A1 (0.45) ADORA3ALDH1A1MAPTGAAPARP1
Hydrochloric Acid SCHEMBL730900 0.83 ALDH1A1 (0.44) ADORA3ALDH1A1MAPTGAAPARP1
SCHEMBL726536 0.83 ALDH1A1 (0.47) ADORA3KDM4EALDH1A1ADORA1
SCHEMBL731042 0.82 MAPT (0.47) ADORA3KDM4EALDH1A1MAPTGAA
SCHEMBL731060 0.81 TSHR (0.49) ADORA3KDM4EALDH1A1GAAPARP1

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-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 US disclosed
US-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 US disclosed
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
EP-1863813-A2 PYRAZOLO[3,4-C]QUINOLINES, PYRAZOLO[3,4-C]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107771-A2 PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO 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-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods IL4, IL2, IL5 ADORA3 1062/4885KDM4E 3301/4885ALDH1A1 1384/4885

“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.