SCHEMBL674144

SCHEMBL674144

O=C1CCC(=NNc2cc(Cl)cc(Cl)c2)c2ncccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 11/20 0.44
GSK3B P49841 11/20 0.44
CDK5 Q00535 7/20 0.44
CDK5R1 Q15078 7/20 0.44
KDR P35968 6/20 0.38
PKM P14618 1/20 0.35
PLK1 P53350 1/20 0.35
CCNB2 O95067 1/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CDK1 P06493 1/20 0.35
PIM1 P11309 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
FLT4 P35916 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CCNA1 P78396 1/20 0.35
DYRK1A Q13627 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
SCHEMBL674143 1.00 GSK3A (0.44) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL378944 0.89 GSK3A (0.42) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL378945 0.89 GSK3A (0.42) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL379446 0.85 ALDH1A1 (0.42) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL379447 0.85 ALDH1A1 (0.42) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL379392 0.82 ALDH1A1 (0.49) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL379327 0.82 GSK3A (0.42) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL379326 0.82 GSK3A (0.42) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL379393 0.82 ALDH1A1 (0.49) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL674870 0.79 GSK3A (0.45) GSK3AGSK3BCDK5CDK5R1KDR

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
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

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 GSK3A 1819/4885GSK3B 2669/4885CDK5 2145/4885

“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.