SCHEMBL21467262

SCHEMBL21467262

Clc1c[c]cc(-n2cccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.56
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
G6PD P11413 1/20 0.40
MAT2A P31153 2/20 0.39
GRM5 P41594 2/20 0.36
ADORA2A P29274 1/20 0.36
CHRM1 P11229 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL28600130 0.80 NOTUM (0.42) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL27747886 0.80 NOTUM (0.42) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL28809740 0.77 NOTUM (0.44) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL173839 0.76 NOTUM (0.63) NOTUMKDM4EALDH1A1MAPK1MEN1
Hydrochloric Acid SCHEMBL7229424 0.74 NOTUM (0.61) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL30050149 0.73 NOTUM (0.55) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL29186519 0.73 NOTUM (0.55) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL27904198 0.73 NOTUM (0.55) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL182132 0.72 NOTUM (1.00) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL160432 0.72 NOTUM (0.48) NOTUMKDM4EALDH1A1MAPK1MEN1

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 13 patents. 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
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-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
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-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
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 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 NOTUM 1865/4885KDM4E 2837/4885ALDH1A1 4004/4885

“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.