SCHEMBL727715

SCHEMBL727715

O=C(Cc1c2c(nn1-c1ccccc1)c(=O)[nH]c1ccccc12)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 3/20 0.46
PARP1 P09874 1/20 0.46
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK14 Q16539 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTR7 P34969 1/20 0.42
USP2 O75604 1/20 0.42
MAPK10 P53779 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL730519 0.87 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAHTTPARP1
Hydrochloric Acid SCHEMBL730900 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAHTTPARP1
SCHEMBL728693 0.85 ADORA3 (0.46) ALDH1A1SMN1; SMN2LMNAHTTPARP1
SCHEMBL730571 0.83 DTYMK (0.43) ALDH1A1SMN1; SMN2LMNAHTTPARP1
SCHEMBL731110 0.81 MEN1 (0.47) ROCK2ROCK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL728854 0.81 ADORA3 (0.45) ALDH1A1PARP1GAAADORA3KDM4E
SCHEMBL728613 0.76 ADORA3 (0.47) ALDH1A1PARP1ADORA3
Hydrochloric Acid SCHEMBL728635 0.75 ADORA3 (0.46) ALDH1A1PARP1ADORA3KDM4EMAPT
SCHEMBL735233 0.75 KDM4E (0.51) ALDH1A1SMN1; SMN2LMNAHPGDHSD17B10
SCHEMBL730873 0.74 ADORA3 (0.45) PARP1ADORA3

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 ROCK2 3551/4885ROCK1 3610/4885ALDH1A1 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.