SCHEMBL5049802

SCHEMBL5049802

O=C1N=C(Nc2c(Cl)cccc2Cl)S/C1=C\c1cc2cccnc2cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 4/20 0.41
KMT2A Q03164 4/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 3/20 0.40
DOT1L Q8TEK3 2/20 0.38
CASP6 P55212 1/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
CLK1 P49759 2/20 0.36
CLK3 P49761 2/20 0.36
DYRK1A Q13627 2/20 0.36
DYRK2 Q92630 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
PIK3CD O00329 1/20 0.36
PIM1 P11309 1/20 0.36
CSNK2A2 P19784 1/20 0.36
PIK3CA P42336 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
SCHEMBL4587956 1.00 DYRK3 (0.41) DYRK3KMT2APOLBMEN1DOT1L
Trifluoroacetic Acid SCHEMBL2993058 0.92 DOT1L (0.37) DYRK3KMT2APOLBMEN1DOT1L
Trifluoroacetic Acid SCHEMBL2993055 0.92 DOT1L (0.37) DYRK3KMT2APOLBMEN1DOT1L
SCHEMBL2992654 0.83 ALOX5 (0.36) DYRK3KMT2APOLBMEN1MAPT
SCHEMBL2992651 0.83 ALOX5 (0.36) DYRK3KMT2APOLBMEN1MAPT
SCHEMBL2993031 0.79 DYRK3 (0.50) DYRK3KMT2AMEN1MAPTHTT
SCHEMBL2993030 0.79 DYRK3 (0.50) DYRK3KMT2AMEN1MAPTHTT
SCHEMBL4148685 0.79 CLK1 (0.53) DYRK3KMT2APOLBMEN1MAPT
SCHEMBL2993698 0.79 CLK1 (0.53) DYRK3KMT2APOLBMEN1MAPT
SCHEMBL2993704 0.79 CLK1 (0.53) DYRK3KMT2APOLBMEN1MAPT

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-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 DYRK3 1471/4885KMT2A 3294/4885POLB 3047/4885

“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.