SCHEMBL23353832

SCHEMBL23353832

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2ccc(C3CC3)nc2)n1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ DGAT1 O75907 4/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ PTGS2 P35354 4/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ SYK P43405 4/20 0.34
▸ PIK3CD O00329 2/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ TRPC3 Q13507 1/20 0.33
▸ TRPC7 Q9HCX4 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32

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
SCHEMBL23353746 0.94 DGAT1 (0.36) POLBDGAT1GPR119PTGS2PTGS1
SCHEMBL23353561 0.89 POLB (0.40) POLBDGAT1PTGS2PTGS1KCNH2
SCHEMBL20386921 0.84 POLB (0.43) POLBGPR119PTGS2
SCHEMBL17858007 0.84 POLB (0.41) POLBGPR119TRPC3TRPC7
SCHEMBL21610553 0.83 POLB (0.36) POLBDGAT1GPR119PTGS2PTGS1
SCHEMBL23353557 0.82 POLB (0.39) POLBGPR119GRIN1GRIN2B
SCHEMBL21609570 0.82 POLB (0.38) POLB
SCHEMBL23353547 0.81 POLB (0.40) POLB
SCHEMBL25885750 0.81 PTGS1 (0.33) POLBDGAT1GPR119PTGS2PTGS1
SCHEMBL30989728 0.80 POLB (0.39) POLBDGAT1GRIN1GRIN2B

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 4632/4885DGAT1 4201/4885GPR119 1113/4885

“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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