SCHEMBL379393

SCHEMBL379393

O=C1CCC(=NNc2ccc(F)cc2)c2ncccc2N1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GSK3A P49840 6/20 0.42
GSK3B P49841 6/20 0.42
CDK5 Q00535 5/20 0.42
CDK5R1 Q15078 5/20 0.42
KDR P35968 6/20 0.38
PLK1 P53350 1/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.35

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
SCHEMBL379392 1.00 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1GSK3AGSK3B
SCHEMBL379446 0.89 ALDH1A1 (0.42) ALDH1A1GAAGSK3AGSK3BCDK5
SCHEMBL379447 0.89 ALDH1A1 (0.42) ALDH1A1GAAGSK3AGSK3BCDK5
SCHEMBL379327 0.88 GSK3A (0.42) ALDH1A1GAAL3MBTL1GSK3AGSK3B
SCHEMBL379326 0.88 GSK3A (0.42) ALDH1A1GAAL3MBTL1GSK3AGSK3B
SCHEMBL378945 0.88 GSK3A (0.42) ALDH1A1GAAL3MBTL1GSK3AGSK3B
SCHEMBL378944 0.88 GSK3A (0.42) ALDH1A1GAAL3MBTL1GSK3AGSK3B
SCHEMBL379477 0.87 GSK3A (0.47) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL674089 0.87 GSK3A (0.47) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL674870 0.85 GSK3A (0.45) ALDH1A1GAAL3MBTL1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879591-B1 USE OF AZAPAULLONES FOR PREVENTING AND TREATING PANCREATIC AUTOIMMUNE DISORDERS DEVELOGEN AG (DE) 2012-01-25 EP disclosed
US-7968535-B2 Antidiabetic agents; neurodegenerative disorders; mixture with immunosuppresants DEVELOGEN ATKIENGESELLSCHAFT (DE) 2011-06-28 US disclosed
US-7968535-B2 Antidiabetic agents; neurodegenerative disorders; mixture with immunosuppresants DEVELOGEN ATKIENGESELLSCHAFT (DE) 2011-06-28 US disclosed
US-20080287423-A1 Use of Azapaullones For Preventing and Treating Pancreatic Autoimmune Disorders EVOTEC INTERNATIONAL GMBH (DE) 2008-11-20 US disclosed
US-20080287423-A1 Use of Azapaullones For Preventing and Treating Pancreatic Autoimmune Disorders EVOTEC INTERNATIONAL GMBH (DE) 2008-11-20 US disclosed
EP-1879591-A1 USE OF AZAPAULLONES FOR PREVENTING AND TREATING PANCREATIC AUTOIMMUNE DISORDERS DeveloGen Aktiengesellschaft (DE) 2008-01-23 EP disclosed
WO-2006117221-A1 USE OF AZAPAULLONES FOR PREVENTING AND TREATING PANCREATIC AUTOIMMUNE DISORDERS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-11-09 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 (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-20080287423-A1 Use of Azapaullones For Preventing and Treating Pancreatic Autoimmune Disorders IAPP, RNASE1, AMY2A ALDH1A1 624/4885GAA 146/4885L3MBTL1 3127/4885

“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.