SCHEMBL23353830

SCHEMBL23353830

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-n2cc(Br)c(C3CC3)n2)n1C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ PDE2A O00408 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

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
SCHEMBL21610551 0.84 POLB (0.34) POLBDRD2DRD4DRD3GRM2
SCHEMBL21609570 0.84 POLB (0.38) POLBPDE2ADRD2DRD3
SCHEMBL20386921 0.81 POLB (0.43) POLBPDE2ADRD2DRD4DRD3
SCHEMBL21609571 0.79 POLB (0.46) POLBPDE2A
SCHEMBL23353737 0.77 POLB (0.32) POLB
SCHEMBL23353561 0.77 POLB (0.40) POLBDRD2DRD4GRM2
SCHEMBL23353557 0.76 POLB (0.39) POLBDRD2DRD4DRD3GRM2
SCHEMBL23353832 0.76 POLB (0.39) POLB
SCHEMBL19712048 0.75 POLB (0.40) POLB
SCHEMBL17844030 0.75 POLB (0.43) POLBPDE2ADRD2DRD4DRD3

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 4632/4885PDE2A 1367/4885DRD2 1783/4885

“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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