SCHEMBL19993256

SCHEMBL19993256

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nn2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ HTR6 P50406 8/20 0.33
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ PKM P14618 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
SCHEMBL19993456 0.86 POLB (0.43) POLBKDM4EALDH1A1MAPTGRIN1
SCHEMBL22775915 0.85 POLB (0.41) POLBKCNQ3KCNQ2PTGS2PDE10A
SCHEMBL24868773 0.83 POLB (0.41) POLBKDM4EALDH1A1GRIN1GRIN2B
SCHEMBL21265226 0.82 POLB (0.41) POLBKDM4EALDH1A1GRIN1GRIN2B
SCHEMBL19993247 0.82 HTR6 (0.35) HTR6PTGS2RAB9A
SCHEMBL24868761 0.81 POLB (0.41) POLBPDE10AKDM4EALDH1A1RAB9A
SCHEMBL24868760 0.81 POLB (0.40) POLBALDH1A1MAPTRAB9APKM
SCHEMBL24868767 0.81 POLB (0.40) POLBALDH1A1RAB9APKM
SCHEMBL23956606 0.80 POLB (0.39) POLBKCNQ3KCNQ2PDE10AALDH1A1
SCHEMBL19993254 0.80 POLB (0.42) POLBHTR6PTGS2KDM4E

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-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
WO-2018050825-A1 PYRAZOLO [1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 — — 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-10611779-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE POLB 3706/4885HTR6 4745/4885KCNQ3 730/4885
US-20190248811-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, BCHE, ACHE POLB 3706/4885HTR6 4745/4885KCNQ3 730/4885

“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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