SCHEMBL19806355

SCHEMBL19806355

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)ncc2ccsc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ ADORA2B P29275 1/20 0.32
▸ GRIN1 Q05586 4/20 0.31
▸ GRIN2B Q13224 4/20 0.31
▸ DDR1 Q08345 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NCOA2 Q15596 1/20 0.30
▸ NCOA1 Q15788 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ NCOA3 Q9Y6Q9 1/20 0.30
▸ PDE7A Q13946 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
SCHEMBL19806351 0.87 POLB (0.41) POLBDDR1S1PR1PPARGNCOA2
SCHEMBL29475164 0.86 POLB (0.42) POLB
SCHEMBL19806340 0.86 POLB (0.42) POLB
SCHEMBL25106818 0.83 POLB (0.43) POLBGRIN1GRIN2BDDR1S1PR1
SCHEMBL18819868 0.83 POLB (0.43) POLBGRIN1GRIN2BDDR1S1PR1
SCHEMBL18819841 0.83 POLB (0.43) POLBGRIN1GRIN2BDDR1LMNA
SCHEMBL25106704 0.82 POLB (0.42) POLBGRIN1GRIN2BDDR1S1PR1
SCHEMBL18819840 0.81 POLB (0.41) POLBGRIN1GRIN2B
SCHEMBL25106702 0.81 POLB (0.41) POLBLMNAHTTNPSR1
SCHEMBL19806349 0.81 KCNH2 (0.34) S1PR1LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3487860-B1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-04-14 — — EP disclosed
US-10561145-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-18 — — US disclosed
US-20190239510-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-08 — — US disclosed
WO-2018015289-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-25 — — 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 (2 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-20190239510-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, BCHE POLB 4096/4885ADORA2B 274/4885GRIN1 611/4885
US-10561145-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, ACHE, BCHE POLB 4096/4885ADORA2B 274/4885GRIN1 611/4885

“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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