SCHEMBL22926205

SCHEMBL22926205

NNc1ncc(OC(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ROCK1 Q13464 1/20 0.35
GRM5 P41594 1/20 0.35
PCSK9 Q8NBP7 2/20 0.34
HDAC4 P56524 2/20 0.33
ALOX15 P16050 1/20 0.32
GFER P55789 1/20 0.32
ADAM17 P78536 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
KMT2A Q03164 1/20 0.31
ABL1 P00519 1/20 0.31
ULK1 O75385 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL21275802 0.76 ROCK1 (0.41) KDM4ELMNAALDH1A1ROCK1HDAC4
SCHEMBL29433388 0.75 ROCK1 (0.42) KDM4ELMNAGAAROCK1GRM5
SCHEMBL22658302 0.75 ROCK1 (0.42) KDM4ELMNAGAAROCK1GRM5
SCHEMBL15933172 0.71 RXRA (0.35) KDM4EALDH1A1GAAGRM5HDAC4
SCHEMBL10808514 0.71 GAA (0.46) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL355741 0.71 RXRA (0.39) KDM4ELMNAALDH1A1ROCK1HDAC4
SCHEMBL29434486 0.71 RXRA (0.33) KDM4ELMNAALDH1A1ROCK1HDAC4
Hydrochloric Acid SCHEMBL22229990 0.70 PCSK9 (0.48) GRM5PCSK9
SCHEMBL22241880 0.69 MAPK6 (0.42) GRM5
SCHEMBL22428387 0.68 RXRA (0.33) KDM4EGRM5PCSK9HDAC4RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561817-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-08-30 CN disclosed
CN-118496198-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-08-16 CN disclosed
EP-3784661-B1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-11-22 EP disclosed
EP-3919486-B1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-06-07 EP disclosed
US-11528907-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2022-12-20 US disclosed
CN-114502545-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-05-13 CN disclosed
CN-114423748-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2022-04-29 CN disclosed
US-20210386070-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-12-16 US disclosed
EP-3919486-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-12-08 EP disclosed
WO-2021013719-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed
WO-2021013720-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 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-11528907-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides CYP4F3, TARS2, TH KDM4E 2912/4885LMNA 3612/4885ALDH1A1 4084/4885
US-20210386070-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, CYP4X1 KDM4E 2663/4885LMNA 3840/4885ALDH1A1 3918/4885

“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.