SCHEMBL513882

SCHEMBL513882

C(=C1CCNCC1)c1ccc2ncsc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.53
DYRK1B Q9Y463 20/20 0.53
DYRK2 Q92630 19/20 0.53
CLK1 P49759 19/20 0.52
CLK4 Q9HAZ1 17/20 0.52
CSNK2A2 P19784 2/20 0.52
CSNK2B P67870 2/20 0.52
CSNK2A1 P68400 2/20 0.52
PIK3CD O00329 1/20 0.52
PRKCB P05771 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CG P48736 1/20 0.52
HASPIN Q8TF76 1/20 0.52
DYRK3 O43781 16/20 0.46
CLK3 P49761 15/20 0.46
DYRK4 Q9NR20 15/20 0.46
CLK2 P49760 15/20 0.46
GSK3B P49841 14/20 0.46
CDK5 Q00535 4/20 0.44
CDK5R1 Q15078 4/20 0.44

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
SCHEMBL23480179 0.73 DYRK1A (0.51) DYRK1ADYRK1BDYRK2CLK1CLK4
SCHEMBL23987071 0.71 DYRK1A (0.51) DYRK1ADYRK1BDYRK2CLK1CLK4
SCHEMBL2881987 0.71 DYRK1A (0.79) DYRK1ADYRK1BDYRK2CLK1CLK4
SCHEMBL2881990 0.71 DYRK1A (0.79) DYRK1ADYRK1BDYRK2CLK1CLK4
SCHEMBL27980410 0.71 DYRK1A (0.49) DYRK1ADYRK1BDYRK2CLK1CLK4
SCHEMBL19140129 0.71 DYRK1A (0.52) DYRK1ADYRK1BDYRK2CLK1CLK4
SCHEMBL28015693 0.71 DYRK1A (0.49) DYRK1ADYRK1BDYRK2CLK1CLK4
SCHEMBL7218352 0.71 DYRK1A (0.49) DYRK1ADYRK1BDYRK2CLK1CLK4
SCHEMBL1418925 0.71 DYRK1A (0.52) DYRK1ADYRK1BDYRK2CLK1CLK4
SCHEMBL30275520 0.70 DYRK1A (0.60) DYRK1ADYRK1BDYRK2CLK1CLK4

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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 DYRK1A 840/4885DYRK1B 723/4885DYRK2 587/4885

“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.