SCHEMBL731191

SCHEMBL731191

CCCn1nc(C(=O)OCC)cc1CC(C)(C)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
CYP1A2 P05177 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
MPO P05164 1/20 0.37
TP53 P04637 1/20 0.37
NR1H2 P55055 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1232784 0.92 CNR2 (0.49) CNR1CNR2CYP1A2MAPTKMT2A
SCHEMBL1233818 0.91 CNR1 (0.42) CNR1CNR2CYP1A2MAPTKMT2A
SCHEMBL1234271 0.89 MAPT (0.42) CYP1A2MAPTKMT2AGAATP53
SCHEMBL1233457 0.88 CNR1 (0.43) CNR1CNR2CYP1A2MAPTKMT2A
SCHEMBL1234170 0.87 CNR1 (0.42) CNR1CNR2CYP1A2MAPTKMT2A
SCHEMBL1233827 0.86 NR1H2 (0.40) CNR1CNR2CYP1A2MAPTKMT2A
SCHEMBL1233602 0.86 CYP1A2 (0.42) CYP1A2MAPTKMT2AGAAMPO
SCHEMBL1234820 0.82 CNR1 (0.43) CNR1CNR2MAPTKMT2AGAA
SCHEMBL1233659 0.82 CNR1 (0.45) CNR1CNR2
SCHEMBL12050045 0.80 CYP1A2 (0.45) CYP1A2MAPTKMT2AGAANR1H2

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-1863809-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107753-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 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 CNR1 839/4885CNR2 690/4885CYP1A2 398/4885
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof IL4, IL4I1, IL2 CNR1 2505/4885CNR2 1476/4885CYP1A2 453/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 CNR1 2696/4885CNR2 1601/4885CYP1A2 1074/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 CNR1 2505/4885CNR2 1476/4885CYP1A2 453/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 CNR1 2696/4885CNR2 1601/4885CYP1A2 1074/4885

“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.