SCHEMBL19969164

SCHEMBL19969164

COc1ccc(N(C)C(=O)C(Cc2cc(F)cc(F)c2)NC(=O)CN2c3ccccc3N(CC(=O)N[C@@H](Cc3cc(F)cc(F)c3)C(=O)N(C)c3ccc4scnc4c3)S2(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.34
PYGL P06737 1/20 0.34
CLK1 P49759 2/20 0.33
CLK2 P49760 2/20 0.33
DYRK1A Q13627 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CMA1 P23946 2/20 0.33
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL19962037 1.00 PDE10A (0.34) PDE10APYGLCLK1CLK2DYRK1A
SCHEMBL19969008 0.94 PYGL (0.35) PDE10APYGLCMA1
SCHEMBL18180288 0.94 PYGL (0.35) PDE10APYGLCMA1
SCHEMBL18180125 0.89 PYGL (0.40) PYGLKDM4EALDH1A1
SCHEMBL19962016 0.88 PYGL (0.35) PDE10APYGLCMA1
SCHEMBL19969114 0.83 NPY1R (0.35) PDE10APYGLCMA1
SCHEMBL19962139 0.82 MAPT (0.36) PYGLKDM4EALDH1A1
SCHEMBL19969215 0.82 MAPT (0.36) PYGLKDM4EALDH1A1
SCHEMBL19962078 0.81 OXTR (0.41) PYGLSCN9A
SCHEMBL19969150 0.81 OXTR (0.41) PYGLSCN9A

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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E PDE10A 2805/4885PYGL 498/4885CLK1 2692/4885

“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.