SCHEMBL1962077

SCHEMBL1962077

Cc1cnc2c(c1)cc(C(O)CC1CCCC1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
IDO1 P14902 4/20 0.37
TDO2 P48775 4/20 0.37
RECQL P46063 1/20 0.36
GCK P35557 6/20 0.36
SLC40A1 Q9NP59 1/20 0.36
BRD4 O60885 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CNR2 P34972 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
SCHEMBL1963563 0.88 RECQL (0.36) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1961925 0.87 FKBP1A (0.36) IDO1TDO2RECQL
SCHEMBL1961549 0.87 IDO1 (0.36) IDO1TDO2RECQLCNR2
SCHEMBL1958810 0.87 SMN1; SMN2 (0.35) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1962889 0.86 AADAT (0.34) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1962048 0.85 ALDH1A1 (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1959421 0.85 KDM4E (0.36) GCK
SCHEMBL27889611 0.85 CASP3 (0.34) IDO1TDO2RECQLBRD4CNR2
SCHEMBL1961542 0.85 RECQL (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1960371 0.82 PTGDR (0.34) IDO1TDO2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 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 (1 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-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 PDE5A 612/4885PDE4A 625/4885PDE4B 502/4885

“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.