SCHEMBL674089

SCHEMBL674089

O=C1CC/C(=N\Nc2ccc(C(F)(F)F)cc2)c2ncccc2N1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
KIF11 P52732 8/20 0.46
PDE2A O00408 1/20 0.38
TRPV1 Q8NER1 7/20 0.38
PKM P14618 1/20 0.37
PKLR P30613 1/20 0.37
KDR P35968 1/20 0.36
PLK1 P53350 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
SCHEMBL379477 1.00 GSK3A (0.47) GSK3AGSK3BCDK5CDK5R1KIF11
SCHEMBL379392 0.87 ALDH1A1 (0.49) GSK3AGSK3BCDK5CDK5R1PKM
SCHEMBL379393 0.87 ALDH1A1 (0.49) GSK3AGSK3BCDK5CDK5R1PKM
SCHEMBL379447 0.86 ALDH1A1 (0.42) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL379446 0.86 ALDH1A1 (0.42) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL378944 0.85 GSK3A (0.42) GSK3AGSK3BCDK5CDK5R1PKM
SCHEMBL379327 0.85 GSK3A (0.42) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL379326 0.85 GSK3A (0.42) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL378945 0.85 GSK3A (0.42) GSK3AGSK3BCDK5CDK5R1PKM
SCHEMBL379247 0.82 GSK3A (0.45) GSK3AGSK3BCDK5CDK5R1TRPV1

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 2 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-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.