SCHEMBL4956973

SCHEMBL4956973

c1cnc2ncnn2c1.c1nc2[nH]ncc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.55
CDC7 O00311 2/20 0.33
DAPK3 O43293 2/20 0.33
DYRK3 O43781 2/20 0.33
ROCK2 O75116 2/20 0.33
PRKD3 O94806 2/20 0.33
CDK1 P06493 2/20 0.33
PIM1 P11309 2/20 0.33
PRKACA P17612 2/20 0.33
RPS6KB1 P23443 2/20 0.33
CDK2 P24941 2/20 0.33
CSNK1D P48730 2/20 0.33
CLK2 P49760 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
CSNK2A1 P68400 2/20 0.33
CSNK1G2 P78368 2/20 0.33
CDK5 Q00535 2/20 0.33
ROCK1 Q13464 2/20 0.33
DYRK1A Q13627 2/20 0.33

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
SCHEMBL214686 0.74
SCHEMBL72796 0.74
Hydrochloric Acid SCHEMBL29829475 0.73 PDE10A (0.95) PDE10ACDK2MAP4K4
SCHEMBL9634611 0.73 PDE10A (0.95) PDE10ACDK2MAP4K4
Sulfuric Acid SCHEMBL8146392 0.63 PDE10A (0.72) PDE10ACDK2MAP4K4IRAK4
Diethyl Sulfide SCHEMBL27760941 0.63 PDE10A (0.72) PDE10ACDK2MAP4K4
SCHEMBL7975635 0.54
SCHEMBL717559 0.54
SCHEMBL21984001 0.53 CDC7 (0.69) CDC7DAPK3DYRK3ROCK2PRKD3
SCHEMBL29365139 0.53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 PDE10A 2186/4885CDC7 3042/4885DAPK3 2424/4885

“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.