SCHEMBL21609574

SCHEMBL21609574

CCSc1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(Br)n1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAOB P27338 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
SCHEMBL30080473 0.84 POLB (0.46) POLB
SCHEMBL20379029 0.83 POLB (0.46) POLB
SCHEMBL19711991 0.83 POLB (0.47) POLBMEN1NPC1ALDH1A1STAT3
Hydrochloric Acid SCHEMBL30080585 0.83 POLB (0.45) POLB
SCHEMBL20887341 0.82 POLB (0.43) POLBNPC1ALDH1A1RAB9AMAOB
SCHEMBL19711939 0.82 POLB (0.46) POLB
SCHEMBL14677239 0.82 POLB (0.52) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL29431598 0.82 POLB (0.52) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL19712032 0.82 POLB (0.44) POLB
SCHEMBL30177597 0.82 POLB (0.48) POLBMEN1NPC1ALDH1A1STAT3

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 10 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
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 1418/4885NPC1 3329/4885
US-20210139480-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 POLB 4632/4885MEN1 1464/4885NPC1 3536/4885
US-11926623-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 POLB 4632/4885MEN1 1464/4885NPC1 3536/4885

“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.