SCHEMBL22010018

SCHEMBL22010018

Cn1ccc2ccc(-c3ccc4cc(-c5cncs5)ccc4c3)cc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
CD38 P28907 2/20 0.43
WNT1 P04628 8/20 0.42
GSK3B P49841 8/20 0.42
DYRK1A Q13627 8/20 0.42
HSD11B1 P28845 1/20 0.39
PIK3CB P42338 1/20 0.39
CYP2A6 P11509 1/20 0.39
HTR1D P28221 2/20 0.37
TTK P33981 1/20 0.36
MARK3 P27448 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
SCHEMBL23185433 0.96 WNT1 (0.44) MAPTCD38WNT1GSK3BDYRK1A
SCHEMBL26260195 0.79 DYRK1A (0.49) MAPTCD38WNT1GSK3BDYRK1A
SCHEMBL16159853 0.76 DYRK1A (0.46) MAPTCD38WNT1GSK3BDYRK1A
SCHEMBL7988012 0.75 CYP2A6 (0.45) MAPTHSD11B1PIK3CBCYP2A6HTR1D
SCHEMBL19903845 0.75 HTR1D (0.59) MAPTHSD11B1CYP2A6HTR1D
SCHEMBL16159089 0.75 DYRK1A (0.50) CD38WNT1GSK3BDYRK1A
SCHEMBL26260216 0.74 DYRK1A (0.47) MAPTCD38WNT1GSK3BDYRK1A
SCHEMBL21241353 0.74 CYP2A6 (0.41) MAPTHSD11B1PIK3CBCYP2A6HTR1D
SCHEMBL18029231 0.73 HTR6 (0.60) MAPTHSD11B1CYP2A6HTR1D
SCHEMBL7457053 0.73 CYP11B1 (0.50) MAPTCD38WNT1GSK3BDYRK1A

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
EP-3645484-B1 METHOD FOR PREPARATION OF ALKYLATED OR FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HETEROGENEOUS COBALT CATALYSIS LONZA SOLUTIONS AG (CH) 2021-11-10 EP disclosed
US-20200157063-A1 Method for Preparation of Alkylated or Fluoro, Chloro and Fluorochloro Alkylated Compounds by Heterogeneous Cobalt Catalysis ARXADA AG (CH) 2020-05-21 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-20200157063-A1 Method for Preparation of Alkylated or Fluoro, Chloro and Fluorochloro Alkylated Compounds by Heterogeneous Cobalt Catalysis ABL1, CAT, MYC MAPT 3929/4885CD38 513/4885WNT1 3028/4885

“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.