SCHEMBL729398

SCHEMBL729398

c1cnc2ncc3n[nH]cc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
HSP90AA1 P07900 2/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34

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
SCHEMBL9837615 0.77 MAPT (0.67) LMNAMAPTKDM4ECYP3A4SMN1; SMN2
SCHEMBL2290363 0.77 MAPT (0.58) LMNAMAPTKDM4ECYP3A4HSP90AA1
SCHEMBL30539895 0.76 GPR3 (0.50) MAPTKDM4ECYP3A4SMN1; SMN2
SCHEMBL253096 0.76 GPR3 (0.50) MAPTKDM4ECYP3A4SMN1; SMN2
SCHEMBL729397 0.75 KDM4E (0.47) LMNAMAPTKDM4ECYP3A4SMN1; SMN2
SCHEMBL4932780 0.74 LMNA (0.40) LMNAMAPTKDM4ECYP3A4SMN1; SMN2
SCHEMBL25666742 0.69 LMNA (0.46) LMNAMAPTKDM4ECYP3A4PIK3CA
SCHEMBL25666739 0.69 LMNA (0.46) LMNAMAPTKDM4ECYP3A4JAK2
SCHEMBL11195631 0.69 MAPT (0.57) LMNAMAPTKDM4ECYP3A4SMN1; SMN2
SCHEMBL5572937 0.68 DHFR (0.42) LMNAMAPTHSP90AA1KMT2AMEN1

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 31 patents — showing the first 20. 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-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-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-7943636-B2 1-substituted pyrazolo (3,4-C) ring compounds as modulators of cytokine biosynthesis for the treatment of viral infections and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-7943636-B2 1-substituted pyrazolo (3,4-C) ring compounds as modulators of cytokine biosynthesis for the treatment of viral infections and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 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
EP-1863809-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP 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-2006107853-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO 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
WO-2006107753-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
WO-2006107851-A1 1-SUBSTITUTED PYRAZOLO (3,4-C) RING COMPOUNDS AS MODULATORS OF CYTOKINE BIOSYNTHESIS FOR THE TREATMENT OF VIRAL INFECTIONS AND NEOPLASTIC DISEASES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
WO-2006107851-A1 1-SUBSTITUTED PYRAZOLO (3,4-C) RING COMPOUNDS AS MODULATORS OF CYTOKINE BIOSYNTHESIS FOR THE TREATMENT OF VIRAL INFECTIONS AND NEOPLASTIC DISEASES 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 (3 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-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 LMNA 4290/4885MAPT 2197/4885KDM4E 1735/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 LMNA 3930/4885MAPT 2501/4885KDM4E 1465/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 LMNA 4290/4885MAPT 2197/4885KDM4E 1735/4885

“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.