SCHEMBL728930

SCHEMBL728930

CCn1cc2c(n1)c(=O)[nH]c1ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 0.71
ADORA1 P30542 5/20 0.58
PARP1 P09874 2/20 0.49
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TNKS O95271 1/20 0.46
LMNA P02545 1/20 0.46
GPR3 P46089 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
PARP15 Q460N3 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
HPGD P15428 1/20 0.45
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
MAT2A P31153 1/20 0.43

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
SCHEMBL1895125 0.89 ADORA3 (0.67) ADORA3ADORA1PARP1MEN1ALDH1A1
SCHEMBL22806915 0.86 ADORA3 (0.64) ADORA3ADORA1PARP1ALDH1A1CYP1A2
SCHEMBL29787348 0.86 ADORA3 (0.64) ADORA3ADORA1PARP1ALDH1A1CYP1A2
SCHEMBL31060958 0.83 ADORA3 (1.00) ADORA3ADORA1PARP1MEN1ALDH1A1
SCHEMBL29314496 0.80 ADORA3 (0.62) ADORA3ADORA1PARP1MEN1ALDH1A1
SCHEMBL14323629 0.79 ADORA3 (0.76) ADORA3ADORA1MEN1ALDH1A1KMT2A
SCHEMBL1232880 0.78 ADORA3 (0.54) ADORA3ADORA1ALDH1A1TNKS2HPGD
SCHEMBL730877 0.77 ADORA3 (0.58) ADORA3ADORA1PARP1MEN1ALDH1A1
SCHEMBL728937 0.75 ADORA3 (0.80) ADORA3ADORA1
SCHEMBL5507512 0.71 ADORA3 (0.52) ADORA3ADORA1PARP1MEN1ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145410-B2 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-29 US disclosed
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2012-05-17 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-7879849-B2 such as 1-(2-Methylpropyl)-2-propyl-2H-pyrazolo[3,4-c]quinolin-4-amine, used as immunomodulators, for inducing or inhibiting cytokine biosynthesis in animals and in the treatment of viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-01 US disclosed
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2009-12-24 US disclosed
US-7544697-B2 Pyrazolopyridines and analogs thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-06-09 US disclosed
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-19 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
US-20060100229-A1 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2006-05-11 US 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 (5 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 1062/4885ADORA1 2425/4885PARP1 2642/4885
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof IL4, IL4I1, IL2 ADORA3 511/4885ADORA1 1255/4885PARP1 1980/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 ADORA3 610/4885ADORA1 1451/4885PARP1 2153/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 ADORA3 511/4885ADORA1 1255/4885PARP1 1980/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 ADORA3 610/4885ADORA1 1451/4885PARP1 2153/4885

“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.