SCHEMBL731042

SCHEMBL731042

CCn1nc2c(=O)[nH]c3ccccc3c2c1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ADORA3 P0DMS8 5/20 0.42
TDP1 Q9NUW8 1/20 0.39
AKR1B1 P15121 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
ADORA1 P30542 1/20 0.39
EGFR P00533 1/20 0.39
PARP1 P09874 1/20 0.38
LMNA P02545 1/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL733655 0.86 KDM4E (0.53) KDM4EALDH1A1ADORA3MEN1KMT2A
Hydrochloric Acid SCHEMBL728945 0.82 HSD17B10 (0.40) MAPTKDM4EALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL730878 0.82 HSD17B10 (0.40) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL728854 0.82 ADORA3 (0.45) MAPTKDM4EALDH1A1GAACASP1
SCHEMBL729439 0.78 ADORA3 (0.40) MAPTKDM4EALDH1A1ADORA3TDP1
SCHEMBL728888 0.77 ADORA3 (0.41) ALDH1A1ADORA3MEN1KMT2AHPGD
SCHEMBL1895662 0.76 ALDH1A1 (0.44) KDM4EALDH1A1ADORA3TDP1MEN1
SCHEMBL728568 0.74 ADORA3 (0.47) KDM4EALDH1A1ADORA3MEN1KMT2A
SCHEMBL735233 0.73 KDM4E (0.51) KDM4EALDH1A1GAAADORA3HPGD
SCHEMBL726536 0.72 ALDH1A1 (0.47) KDM4EALDH1A1ADORA3MEN1KMT2A

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 4 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-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 MAPT 4124/4885KDM4E 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.