SCHEMBL23353550

SCHEMBL23353550

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2ccnn2C2CC2)n1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ RORC P51449 1/20 0.33
▸ SCN9A Q15858 2/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ PADI4 Q9UM07 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
SCHEMBL23353556 0.83 POLB (0.39) POLBRORC
SCHEMBL23353547 0.82 POLB (0.40) POLB
SCHEMBL20386921 0.80 POLB (0.43) POLBRORCDRD2DRD4DRD3
SCHEMBL23353561 0.80 POLB (0.40) POLBDRD2DRD4GRM2
SCHEMBL23353832 0.78 POLB (0.39) POLB
SCHEMBL23353557 0.78 POLB (0.39) POLBDRD2DRD4DRD3GRM2
SCHEMBL21609571 0.77 POLB (0.46) POLBRORC
SCHEMBL23353748 0.77 CCNE1 (0.35) POLBTYRO3
SCHEMBL19711990 0.76 POLB (0.43) POLB
SCHEMBL21609575 0.76 POLB (0.45) POLB

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-20210139480-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-13 — — 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-20210139480-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 POLB 4632/4885RORC 3266/4885SCN9A 1141/4885

“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.

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