SCHEMBL16405986

SCHEMBL16405986

COCCNC(=O)c1cn(Cc2ncnc(OC)c2C)c2cccnc12

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 5/20 0.85
PDE6A P16499 5/20 0.85
PDE6G P18545 5/20 0.85
PDE6B P35913 5/20 0.85
PDE6C P51160 5/20 0.85
PDE6H Q13956 5/20 0.85
CHRM1 P11229 7/20 0.43
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
P2RX7 Q99572 1/20 0.38
MAPK1 P28482 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL16395228 0.93 PDE6D (0.85) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16395288 0.92 PDE6D (0.81) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16394991 0.92 PDE6D (1.00) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16405997 0.91 PDE6D (0.80) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16405990 0.91 PDE6D (0.82) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL19264838 0.91 PDE6D (0.79) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16395658 0.89 PDE6D (0.78) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL19264859 0.87 PDE6D (0.79) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16395164 0.86 PDE6D (1.00) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL16395469 0.86 PDE6D (0.86) PDE6DPDE6APDE6GPDE6BPDE6C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3021947-B1 AZAINDOLE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING THE SAME GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2017-08-23 EP disclosed
EP-3021947-B1 AZAINDOLE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING THE SAME GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2017-08-23 EP disclosed
US-9163020-B2 Azaindole compounds, synthesis thereof, and methods of using the same GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-10-20 US disclosed
US-9163020-B2 Azaindole compounds, synthesis thereof, and methods of using the same GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-10-20 US disclosed
US-20150025087-A1 AZAINDOLE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING THE SAME FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) 2015-01-22 US disclosed
US-20150025087-A1 AZAINDOLE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING THE SAME FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) 2015-01-22 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-20150025087-A1 AZAINDOLE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING THE SAME DPEP1, QDPR, IDO1 PDE6D 3468/4885PDE6A 2102/4885PDE6G 2734/4885

“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.