SCHEMBL1233602

SCHEMBL1233602

CCCn1nc(C(=O)OCC)cc1CC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MPO P05164 1/20 0.39
TP53 P04637 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
NR1H2 P55055 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 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
SCHEMBL1231889 0.91 CNR2 (0.42) CYP1A2MAPTKMT2AGAAMPO
SCHEMBL1234207 0.88 MAPT (0.45) CYP1A2MAPTKMT2AGAATP53
SCHEMBL731191 0.86 CNR1 (0.43) CYP1A2MAPTKMT2AGAAMPO
SCHEMBL12050045 0.84 CYP1A2 (0.45) CYP1A2MAPTKMT2AGAAADORA3
SCHEMBL1233249 0.83 MPO (0.49) CYP1A2MAPTKMT2AGAAMPO
SCHEMBL25309026 0.83 SMN1; SMN2 (0.46) CYP1A2MAPTKMT2AGAATP53
SCHEMBL1233460 0.83 CNR2 (0.37) CYP1A2MAPTKMT2AGAAMPO
SCHEMBL1234170 0.82 CNR1 (0.42) CYP1A2MAPTKMT2AGAAMPO
SCHEMBL19615958 0.82 POLB (0.46) KMT2AGAAKDM4EPOLB
SCHEMBL1233827 0.81 NR1H2 (0.40) CYP1A2MAPTKMT2AGAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP disclosed
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-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
EP-1696912-A4 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2009-06-03 EP disclosed
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-19 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
EP-1696912-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M Innovative Properties Company (US) 2006-09-06 EP disclosed
US-20060100229-A1 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2006-05-11 US disclosed
WO-2005079195-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-01 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 (4 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-20090075980-A1 Pyrazolopyridines and Analogs Thereof IL4, IL4I1, IL2 CYP1A2 453/4885MAPT 2501/4885KMT2A 2980/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 CYP1A2 1074/4885MAPT 2197/4885KMT2A 3149/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 CYP1A2 453/4885MAPT 2501/4885KMT2A 2980/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 CYP1A2 1074/4885MAPT 2197/4885KMT2A 3149/4885

“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.