SCHEMBL25106986

SCHEMBL25106986

CCSc1c(-c2nc3cc(C(F)(F)F)cnc3n2C)ncc2cc(NC(=O)OC)ccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ AGPAT2 O15120 5/20 0.38
▸ MET P08581 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ MCHR1 Q99705 5/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ HTR2B P41595 2/20 0.33
▸ NR3C1 P04150 3/20 0.33
▸ ELANE P08246 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL25106711 0.85 POLB (0.42) POLBAGPAT2METKDM4EMCHR1
SCHEMBL25106938 0.84 POLB (0.45) POLB
SCHEMBL24576480 0.82 POLB (0.43) POLB
SCHEMBL25106816 0.81 POLB (0.42) POLB
SCHEMBL25106837 0.79 POLB (0.41) POLB
SCHEMBL24576634 0.78 POLB (0.41) POLB
SCHEMBL25106718 0.77 POLB (0.41) POLBKDM4EMCHR1NR3C1
SCHEMBL24576633 0.76 POLB (0.39) POLB
SCHEMBL29637976 0.76 POLB (0.39) POLB
SCHEMBL25106667 0.74 POLB (0.39) POLBKDM4ELMNATSHR

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-20230060425-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 — — 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-20230060425-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR1, CBR3 POLB 3767/4885AGPAT2 2873/4885MET 3584/4885

“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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