SCHEMBL21609571

SCHEMBL21609571

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
S1PR1 P21453 1/20 0.31
DDR1 Q08345 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
AGBL2 Q5U5Z8 1/20 0.31
RORC P51449 1/20 0.31
PDE2A O00408 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL21609575 0.85 POLB (0.45) POLBMEN1KMT2AS1PR1AGBL2
SCHEMBL21550144 0.84 POLB (0.41) POLBMEN1KMT2ANPC1ALDH1A1
SCHEMBL30080648 0.84 POLB (0.44) POLBMEN1KMT2AS1PR1PKM
SCHEMBL19712005 0.84 POLB (0.44) POLBMEN1KMT2ANPC1ALDH1A1
SCHEMBL18737470 0.83 POLB (0.40) POLBALDH1A1DDR1PKMMAOB
SCHEMBL19712048 0.83 POLB (0.40) POLBMEN1KMT2ANPC1ALDH1A1
SCHEMBL19711990 0.83 POLB (0.43) POLBMEN1KMT2A
SCHEMBL20386921 0.83 POLB (0.43) POLBMEN1KMT2AS1PR1RORC
SCHEMBL14684583 0.83 POLB (0.48) POLBMEN1KMT2ANPC1ALDH1A1
SCHEMBL29360277 0.83 POLB (0.48) POLBMEN1KMT2ANPC1ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190867-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-13 US disclosed
EP-3814346-B1 HETEROCYCLIC DERIVATIVES AS PESTICIDES BAYER AG (DE) 2024-03-20 EP disclosed
US-11926623-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2024-03-12 US disclosed
CN-112368280-B Heterocyclic derivatives as pest control agents 拜耳公司 2023-01-20 CN disclosed
US-20210139480-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-13 US disclosed
US-20210139480-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-13 US disclosed
EP-3814346-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2021-05-05 EP disclosed
CN-112368280-A Heterocyclic derivatives as pest control agents 拜耳公司 2021-02-12 CN disclosed
WO-2020002082-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO 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 (3 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-20240190867-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 POLB 4612/4885MEN1 1418/4885KMT2A 2500/4885
US-20210139480-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 POLB 4632/4885MEN1 1464/4885KMT2A 2759/4885
US-11926623-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 POLB 4632/4885MEN1 1464/4885KMT2A 2759/4885

“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.