SCHEMBL21466176

SCHEMBL21466176

O=C(NCC(F)F)c1cc[c]nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GABRA5 P31644 1/20 0.37
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MLYCD O95822 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 2/20 0.34
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 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
SCHEMBL23036854 0.84 KMT2A (0.53) NAMPTKMT2AMEN1GAAHSD17B10
SCHEMBL23036848 0.79 CA9 (0.41) KMT2AMEN1GAATHRBKDM4E
SCHEMBL21462550 0.78 LOXL2 (0.40) NAMPTGABRA5SMN1; SMN2EPHX2
SCHEMBL10596421 0.76 TSHR (0.52) KMT2AMEN1HSD17B10SMN1; SMN2KDM4E
SCHEMBL18027923 0.75 KDM4E (0.60) NAMPTKMT2AMEN1GABRA5KDM4E
SCHEMBL2349631 0.75 CTSK (0.41) NAMPTKDM4E
SCHEMBL3029967 0.74 HPGD (0.50) NAMPTKMT2AMEN1NPC1RAB9A
SCHEMBL958568 0.73 PLK1 (0.44) THRBSMN1; SMN2EPHX2TSHR
SCHEMBL6152912 0.72 NAAA (0.58) KMT2AMEN1MLYCDNPC1RAB9A
SCHEMBL13862225 0.71 NPC1 (0.62) NAMPTKMT2AGAAHSD17B10NPC1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969925-A Heteroaryl-triazole compounds 拜耳公司 2023-10-31 CN claimed
CN-116925043-A Heteroaryl-triazole compounds 拜耳公司 2023-10-24 CN claimed
EP-3904350-B1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2023-08-23 EP claimed
EP-3904349-B1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}HETEROCYCLYL AMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-08-23 EP claimed
EP-3774778-B1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2023-01-18 EP claimed
EP-3904349-A2 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}HETEROCYCLYL AMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-11-03 EP claimed
EP-3904350-A1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-11-03 EP claimed
US-20210147387-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 US claimed
EP-3774778-A1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-02-17 EP claimed
CN-111989323-A N- (cyclopropylmethyl) -5- (methylsulfonyl) -N- {1- [1- (pyrimidin-2-yl) -1H-1, 2, 4-triazol-5-yl ] ethyl } benzamide derivatives and corresponding picolinamide derivatives as pesticides 拜耳公司 2020-11-24 CN claimed
WO-2019197468-A1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 WO claimed
CN-116969925-A Heteroaryl-triazole compounds 拜耳公司 2023-10-31 CN disclosed
CN-116925043-A Heteroaryl-triazole compounds 拜耳公司 2023-10-24 CN disclosed
EP-3904350-B1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2023-08-23 EP disclosed
EP-3904349-B1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}HETEROCYCLYL AMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-08-23 EP disclosed
EP-3904349-A2 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}HETEROCYCLYL AMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-11-03 EP disclosed
US-20210147387-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 US disclosed
EP-3774778-A1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-02-17 EP disclosed
CN-111989323-A N- (cyclopropylmethyl) -5- (methylsulfonyl) -N- {1- [1- (pyrimidin-2-yl) -1H-1, 2, 4-triazol-5-yl ] ethyl } benzamide derivatives and corresponding picolinamide derivatives as pesticides 拜耳公司 2020-11-24 CN disclosed
WO-2019197468-A1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 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 (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-20210147387-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, H1-3 NAMPT 3937/4885KMT2A 1530/4885MEN1 3758/4885

“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.