SCHEMBL1232307

SCHEMBL1232307

CCCCn1nc(C(=O)OCC)cc1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 1/20 0.42
CNR2 P34972 3/20 0.42
GAA P10253 2/20 0.40
CNR1 P21554 2/20 0.40
KMT2A Q03164 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL29834790 0.95 CNR2 (0.46) KDM4ECYP1A2CNR2CNR1
SCHEMBL12050045 0.91 CYP1A2 (0.45) KDM4ECYP1A2GAAKMT2AADORA3
SCHEMBL1233462 0.86 CYP1A2 (0.44) KDM4ECYP1A2GAAKMT2AADORA3
SCHEMBL1231889 0.85 CNR2 (0.42) KDM4ECYP1A2CNR2GAACNR1
SCHEMBL1234127 0.84 AURKA (0.52) KDM4ECYP1A2GAAKMT2AADORA3
SCHEMBL19616009 0.84 CNR1 (0.42) KDM4ECYP1A2CNR2GAACNR1
SCHEMBL27740912 0.83 KDM4E (0.51) KDM4ECNR2CNR1
SCHEMBL19615649 0.82 CYP1A2 (0.41) KDM4ECYP1A2GAAKMT2AADORA3
SCHEMBL1234211 0.81 KDM4E (0.46) KDM4ECNR2CNR1
SCHEMBL12100567 0.81 CNR2 (0.45) CNR2CNR1KMT2APOLB

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
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-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 KDM4E 1465/4885CYP1A2 453/4885CNR2 1476/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 KDM4E 1735/4885CYP1A2 1074/4885CNR2 1601/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 KDM4E 1465/4885CYP1A2 453/4885CNR2 1476/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 KDM4E 1735/4885CYP1A2 1074/4885CNR2 1601/4885

“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.