Sugi Predict

Sugi Predict / Compounds / SCHEMBL2305835

SCHEMBL2305835

SCHEMBL2305835

CN(C)C(=O)c1cscn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.55
▸ MAP3K5 Q99683 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ATR Q13535 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ DBF4 Q9UBU7 1/20 0.33
▸ CHEK2 O96017 1/20 0.32
▸ ECE1 P42892 1/20 0.32

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
SCHEMBL14543239 0.81 KDM4E (0.48) KDM4EMAP3K5ALDH1A1TSHROPRM1
SCHEMBL1683773 0.81 KDM4E (0.48) KDM4EMAP3K5ALDH1A1TSHRPIM1
SCHEMBL11104657 0.81 KDM4E (0.48) KDM4EMAP3K5ALDH1A1TSHRPIM1
SCHEMBL12424206 0.79 ALDH1A1 (0.50) KDM4EMAP3K5ALDH1A1OPRD1KCNH2
SCHEMBL30302154 0.78 KDM4E (0.46) KDM4EMAP3K5ALDH1A1TSHROPRM1
SCHEMBL30302167 0.77 KDM4E (0.44) KDM4EMAP3K5ALDH1A1TSHROPRM1
SCHEMBL248687 0.76 — —
SCHEMBL247550 0.76 — —
SCHEMBL4532908 0.75 KDM4E (0.67) KDM4EMAP3K5ALDH1A1TSHRPIM1
SCHEMBL2757935 0.73 KDM4E (0.44) KDM4EMAP3K5ALDH1A1TSHROPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486260-B2 Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer MERCK PATENT GMBH (DE) 2025-12-02 — — US claimed
CN-109743875-B Inhibitors of the MENIN-MLL interaction 生命医药有限责任公司 2022-04-29 — — CN claimed
US-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2022-04-28 — — US claimed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 — — US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 — — EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 — — US claimed
CN-116751195-B Bipyridine compound, pharmaceutically acceptable salt thereof, preparation method and application 杭州科兴生物化工有限公司 2025-03-07 — — CN disclosed
CN-116751195-A Bipyridine compound, pharmaceutically acceptable salt thereof, preparation method and application 杭州科兴生物化工有限公司 2023-09-15 — — CN disclosed
CN-109071526-B Acid addition salts of piperazine derivatives 阿森纽荣股份公司 2023-02-28 — — CN disclosed
WO-2023001061-A1 CDK7 SELECTIVE INHIBITORS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2023-01-26 — — WO disclosed
CN-114685490-A Pyrrolopyridine compound and application thereof 江苏先声药业有限公司 2022-07-01 — — CN disclosed
CN-109743875-B Inhibitors of the MENIN-MLL interaction 生命医药有限责任公司 2022-04-29 — — CN disclosed
CN-113474334-A Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer 默克专利股份公司 2021-10-01 — — CN disclosed
CN-101302180-A 8-azaprostaglandin derivative compound and agent comprising the compound as active ingredient ONO PHARMACEUTICAL CO (JP) 2008-11-12 — — CN disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 — — US disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 — — EP disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 — — US disclosed
CN-1653046-A 8-azaprostaglandin derivative compound and medicine containing the same as active ingredient ONO PHARMACEUTICAL CO (JP) 2005-08-10 — — CN disclosed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 — — US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 — — US 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-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM KDM4E 2518/4885MAP3K5 4105/4885ALDH1A1 1182/4885
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 KDM4E 636/4885MAP3K5 892/4885ALDH1A1 204/4885
US-12486260-B2 Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer KIT, TNNI3K, CILK1 KDM4E 838/4885MAP3K5 10/4885ALDH1A1 421/4885
US-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER KIT, TNNI3K, CILK1 KDM4E 838/4885MAP3K5 10/4885ALDH1A1 421/4885

“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.