SCHEMBL21265226

SCHEMBL21265226

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nn2ccc(C)cc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ RORC P51449 1/20 0.32
▸ DDR1 Q08345 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ S1PR1 P21453 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 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
SCHEMBL24868773 0.94 POLB (0.41) POLBDDR1S1PR1PKMKDM4E
SCHEMBL24868767 0.91 POLB (0.40) POLBDDR1S1PR1PKMALDH1A1
SCHEMBL24868760 0.91 POLB (0.40) POLBDDR1S1PR1PKMALDH1A1
SCHEMBL19993456 0.89 POLB (0.43) POLBS1PR1PKMKDM4EALDH1A1
SCHEMBL24868761 0.86 POLB (0.41) POLBRORCDDR1S1PR1PKM
SCHEMBL20636704 0.84 POLB (0.40) POLBS1PR1ALDH1A1
SCHEMBL24868774 0.84 POLB (0.40) POLBDDR1S1PR1ALDH1A1
SCHEMBL19993455 0.84 POLB (0.40) POLBDDR1S1PR1PKMALDH1A1
SCHEMBL19993256 0.82 POLB (0.41) POLBPKMKDM4EALDH1A1GRIN1
SCHEMBL19993458 0.82 KCNH2 (0.34) RORCS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515921-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-10-27 — — EP disclosed
US-10611779-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-04-07 — — US disclosed
US-20190248811-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-15 — — 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 (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-10611779-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE POLB 3706/4885RORC 3144/4885DDR1 4127/4885
US-20190248811-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, BCHE, ACHE POLB 3706/4885RORC 3144/4885DDR1 4127/4885

“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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