SCHEMBL20575348

SCHEMBL20575348

CN1CC2CNC(=O)c3cc(-c4cccc(C[SH](=O)=O)c4)ccc3C2C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
FYN P06241 1/20 0.33
TYRO3 Q06418 1/20 0.30
NTRK2 Q16620 1/20 0.30
PARP1 P09874 2/20 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
SCHEMBL860923 0.86 BACE1 (0.41) CLK4DYRK1BFYN
SCHEMBL860924 0.86 BACE1 (0.41) CLK4DYRK1BFYN
SCHEMBL20575885 0.85 REN (0.31)
SCHEMBL861249 0.85 CLK4 (0.44) CLK4DYRK1BFYNTYRO3NTRK2
SCHEMBL861248 0.85 CLK4 (0.44) CLK4DYRK1BFYNTYRO3NTRK2
SCHEMBL1806322 0.84 PTK2 (0.38) CLK4DYRK1BFYNTYRO3NTRK2
SCHEMBL1806325 0.84 PTK2 (0.38) CLK4DYRK1BFYNTYRO3NTRK2
SCHEMBL860444 0.83 CLK4 (0.50) CLK4DYRK1BFYNTYRO3NTRK2
SCHEMBL860443 0.83 CLK4 (0.50) CLK4DYRK1BFYNTYRO3NTRK2
SCHEMBL861046 0.82 PARP10 (0.44) CLK4DYRK1BFYN

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-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-12-06 US claimed

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-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C CLK4 3097/4885DYRK1B 991/4885FYN 1059/4885

“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.