SCHEMBL21462335

SCHEMBL21462335

COC(=O)c1cc(Cl)cc(C2(C#N)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF3 O95398 2/20 0.41
▸ MEN1 O00255 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL29672156 1.00 RAPGEF3 (0.41) RAPGEF3MEN1ALDH1A1KMT2AMAPT
SCHEMBL936363 0.84 CNR2 (0.41) MEN1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL21486502 0.84 OPRM1 (0.38) MEN1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL31646837 0.83 NOTUM (0.46) MEN1ALDH1A1KMT2AMAPTNPC1
SCHEMBL22926217 0.82 TPMT (0.50) MEN1ALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL29639686 0.82 TPMT (0.50) MEN1ALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL23976730 0.81 PARP1 (0.39) MEN1ALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL22497961 0.80 NOTUM (0.52) MEN1ALDH1A1KMT2AMAPTNPC1
SCHEMBL29659834 0.80 NOTUM (0.52) MEN1ALDH1A1KMT2AMAPTNPC1
SCHEMBL935382 0.80 MEN1 (0.39) MEN1ALDH1A1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969925-B Heteroaryl-triazole compounds BAYER AG (DE) 2026-05-26 — — CN disclosed
US-12610949-B2 Heteroaryl-triazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2026-04-28 — — US disclosed
US-20250066332-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2025-02-27 — — US disclosed
US-12187705-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2025-01-07 — — US disclosed
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
CN-114502545-B Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-06-28 — — CN disclosed
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-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-4003974-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-06-01 — — EP disclosed
CN-114502545-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-05-13 — — CN 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
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
WO-2021013720-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
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 (4 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-12610949-B2 Heteroaryl-triazole compounds as pesticides CTRL, PTMS, DDT RAPGEF3 2648/4885MEN1 4381/4885ALDH1A1 3469/4885
US-20210147387-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, H1-3 RAPGEF3 1747/4885MEN1 3758/4885ALDH1A1 4004/4885
US-12187705-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides CYP4F3, TARS2, H1-3 RAPGEF3 1718/4885MEN1 3655/4885ALDH1A1 4008/4885
US-20250066332-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, H1-3 RAPGEF3 1747/4885MEN1 3758/4885ALDH1A1 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.

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