SCHEMBL728955

SCHEMBL728955

[O]CCCN1CCCS1(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PER2 O15055 7/20 0.33
CRY1 Q16526 7/20 0.33
CRY2 Q49AN0 7/20 0.33
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL731034 0.86 PER2 (0.35) PER2CRY1CRY2PDK2
SCHEMBL1486529 0.81 PER2 (0.33) PER2CRY1CRY2PDCD1CD274
SCHEMBL17575508 0.81 PSEN1 (0.33) PER2CRY1CRY2PDCD1CD274
SCHEMBL17556101 0.81 PER2 (0.33) PER2CRY1CRY2PDCD1CD274
SCHEMBL28527867 0.81 PER2 (0.36) PER2CRY1CRY2PDCD1CD274
SCHEMBL17556122 0.79 PER2 (0.32) PER2CRY1CRY2PDCD1CD274
SCHEMBL1753836 0.79 ALOX5 (0.35) PER2CRY1CRY2PDCD1CD274
SCHEMBL17574698 0.76 PSEN1 (0.40) PER2CRY1CRY2PDCD1CD274
SCHEMBL15238803 0.76 CYP1A2 (0.48) PER2CRY1CRY2PSEN1PSEN2
SCHEMBL1908881 0.76 PER2 (0.36) PER2CRY1CRY2PDCD1CD274

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
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-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 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
US-7544697-B2 Pyrazolopyridines and analogs thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-06-09 US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 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 (6 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 PER2 2506/4885CRY1 1575/4885CRY2 2699/4885
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof IL4, IL4I1, IL2 PER2 2480/4885CRY1 3428/4885CRY2 4237/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 PER2 2726/4885CRY1 3929/4885CRY2 4390/4885
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof IL4, IL2, IL1A PER2 3068/4885CRY1 2852/4885CRY2 4534/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 PER2 2480/4885CRY1 3428/4885CRY2 4237/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 PER2 2726/4885CRY1 3929/4885CRY2 4390/4885

“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.