SCHEMBL378917

SCHEMBL378917

O=C1Cc2c([nH]c3ccc(F)cc23)-c2ncccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 1.00
CDK5 Q00535 16/20 1.00
CDK5R1 Q15078 16/20 1.00
GSK3A P49840 15/20 1.00
CCNB2 O95067 6/20 0.76
CDK1 P06493 6/20 0.76
CCNB1 P14635 6/20 0.76
CCNB3 Q8WWL7 6/20 0.76
CCNA2 P20248 2/20 0.76
CDK2 P24941 2/20 0.76
CCNA1 P78396 2/20 0.76
ABL1 P00519 1/20 0.76
LCK P06239 1/20 0.76
FYN P06241 1/20 0.76
PIM1 P11309 1/20 0.76
FLT4 P35916 1/20 0.76
CSNK2A1 P68400 1/20 0.76
DYRK1A Q13627 1/20 0.76

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
SCHEMBL22570392 0.86 GSK3B (0.76) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL379389 0.86 GSK3B (1.00) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL378921 0.86 GSK3B (1.00) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL379540 0.86 GSK3B (1.00) GSK3BCDK5CDK5R1GSK3ACCNB2
Azakenpaullone SCHEMBL29363781 0.86 GSK3B (1.00) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL378333 0.86 GSK3B (1.00) GSK3BCDK5CDK5R1GSK3ACCNB2
Azakenpaullone SCHEMBL378920 0.86 GSK3B (1.00) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL379533 0.85 GSK3B (1.00) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL379385 0.85 GSK3B (1.00) GSK3BCDK5CDK5R1GSK3ACCNB2
SCHEMBL24393915 0.83 GSK3B (0.74) GSK3BCDK5CDK5R1GSK3ACCNB2

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
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
US-20080287423-A1 Use of Azapaullones For Preventing and Treating Pancreatic Autoimmune Disorders EVOTEC INTERNATIONAL GMBH (DE) 2008-11-20 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-20080287423-A1 Use of Azapaullones For Preventing and Treating Pancreatic Autoimmune Disorders IAPP, RNASE1, AMY2A GSK3B 2669/4885CDK5 2145/4885CDK5R1 2358/4885

“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.