SCHEMBL23353563

SCHEMBL23353563

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2ccc(-c3ccccc3)s2)n1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ GRIN1 Q05586 14/20 0.35
▸ GRIN2B Q13224 14/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ FLT3 P36888 1/20 0.34

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
SCHEMBL23353562 0.88 POLB (0.41) POLBALDH1A1KDM4EHPGDGAA
SCHEMBL23353557 0.85 POLB (0.39) POLBGRIN1GRIN2BALDH1A1MEN1
SCHEMBL21610556 0.82 POLB (0.37) POLBGRIN1GRIN2BALDH1A1KDM4E
SCHEMBL21609571 0.79 POLB (0.46) POLBGRIN1GRIN2BALDH1A1MEN1
SCHEMBL30340579 0.78 POLB (0.41) POLBGRIN1GRIN2BALDH1A1KDM4E
SCHEMBL23353561 0.78 POLB (0.40) POLBGRIN1GRIN2B
SCHEMBL23351441 0.77 POLB (0.36) POLBGRIN1GRIN2B
SCHEMBL21609575 0.77 POLB (0.45) POLBMEN1KMT2A
SCHEMBL19712002 0.77 POLB (0.43) POLBMEN1KMT2A
SCHEMBL21550152 0.77 POLB (0.43) POLBALDH1A1KDM4E

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 4632/4885GRIN1 1001/4885GRIN2B 1943/4885

“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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