SCHEMBL22607307

SCHEMBL22607307

CSc1cn2ccncc2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
DYRK1A Q13627 2/20 0.36
CLK1 P49759 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL8524121 0.75 CLK1 (0.46) HRH4PDE3BPDE3ADYRK1ACLK1
SCHEMBL4400860 0.75 HRH4 (0.45) HRH4PDE3BPDE3ADYRK1ACLK1
SCHEMBL20053810 0.72 PTGS1 (0.47) KDM4EALDH1A1GAAMAPT
SCHEMBL3470490 0.71 HRH4 (0.42) HRH4PDE3BPDE3ADYRK1ACLK1
SCHEMBL12777861 0.71 HRH4 (0.42) HRH4PDE3BPDE3ADYRK1ACLK1
SCHEMBL6276392 0.71 HRH4 (0.42) HRH4PDE3BPDE3ADYRK1ACLK1
SCHEMBL5275762 0.71 HRH4 (0.42) HRH4PDE3BPDE3ADYRK1ACLK1
SCHEMBL25150638 0.70 APP (0.32)
SCHEMBL19957576 0.70 HRH4 (0.42) HRH4PDE3BPDE3ADYRK1ACLK1
SCHEMBL12223303 0.70 DRD2 (0.47) HRH4PDE3BPDE3ADYRK1ACLK1

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-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2020-10-29 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-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 HRH4 836/4885PDE3B 1851/4885PDE3A 2075/4885

“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.