Sugi Predict

Sugi Predict / Compounds / SCHEMBL20875531

SCHEMBL20875531

SCHEMBL20875531

C=CCN(Nc1nc(SC)ncc1C(=O)OCC)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPT P10636 5/20 0.48
▸ FOS P01100 2/20 0.48
▸ JUN P05412 2/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL30421007 1.00 SYK (0.52) SYKALDH1A1MAPTFOSJUN
SCHEMBL20875448 0.89 SYK (0.57) SYKALDH1A1MAPTFOSJUN
SCHEMBL25827991 0.89 SYK (0.51) SYKALDH1A1MAPTFOSJUN
SCHEMBL25904913 0.87 SYK (0.55) SYKALDH1A1MAPTFOSJUN
SCHEMBL23126549 0.86 SYK (0.52) SYKALDH1A1MAPTFOSJUN
SCHEMBL20658731 0.85 ALDH1A1 (0.62) SYKALDH1A1MAPTFOSJUN
SCHEMBL23126623 0.85 SYK (0.52) SYKALDH1A1MAPTFOSJUN
SCHEMBL30310811 0.85 SYK (0.52) SYKALDH1A1MAPTFOSJUN
SCHEMBL25031184 0.84 ALDH1A1 (0.57) SYKALDH1A1MAPTFOSJUN
SCHEMBL20875506 0.84 SYK (0.52) SYKALDH1A1MAPTFOSJUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591334-B Dihydropyrazolopyrimidinone derivatives 山东轩竹医药科技有限公司 2023-10-20 — — CN disclosed
CN-116829570-A WEE1 degrading compounds 北京星奇原生物科技有限公司 2023-09-29 — — CN disclosed
CN-116813619-A Macrocyclic inhibitors of Wee1 南京正大天晴制药有限公司 2023-09-29 — — CN disclosed
WO-2023138362-A1 WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2023-07-27 — — WO disclosed
WO-2023083194-A1 WEE1 PROTEIN KINASE DEGRADATION AGENT AND USE THEREOF 杭州格博生物医药有限公司 2023-05-19 — — WO disclosed
CN-111315747-B Dihydropyrazolopyrimidine compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-02 — — CN disclosed
CN-116056708-A Process for preparing WEE1 inhibitor compounds 里科瑞尔姆IP控股有限责任公司 2023-05-02 — — CN disclosed
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC (US) 2023-04-06 — — US disclosed
EP-4153591-A1 METHODS OF MAKING WEE1 INHIBITOR COMPOUNDS Recurium IP Holdings, LLC (US) 2023-03-29 — — EP disclosed
WO-2023016417-A1 1,2-DIHYDRO-3H-PYRAZOL[3,4-D]PYRIMIDIN-3-ONE COMPOUND AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2023-02-16 — — WO disclosed
US-20210061807-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDINE-3-ONE COMPOUNDS AS INHIBITORS OF WEE-1 KINASE NEWAVE PHARMACEUTICAL INC. 2021-03-04 — — US disclosed
EP-3694861-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2020-08-19 — — EP disclosed
CN-111315747-A Dihydropyrazolone pyrimidine compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-06-19 — — CN disclosed
CN-110872296-A isoindoline-1H-pyrazolo [3,4-d ] pyrimidone compound, and preparation method and application thereof 上海弘翊生物科技有限公司 2020-03-10 — — CN disclosed
WO-2019165204-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDINE-3-ONE COMPOUNDS AS INHIBITORS OF WEE-1 KINASE NEWAVE PHARMACEUTICAL INC. (US) 2019-08-29 — — WO disclosed
WO-2019134539-A1 DIHYDROPYRAZOLONE AND PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREFOR 四川科伦博泰生物医药股份有限公司 2019-07-11 — — WO disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 — — WO disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 — — WO disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 — — US disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 — — 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 (3 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-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 SYK 2823/4885ALDH1A1 2869/4885MAPT 4445/4885
US-20210061807-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDINE-3-ONE COMPOUNDS AS INHIBITORS OF WEE-1 KINASE WEE1, WEE2, PEAK1 SYK 921/4885ALDH1A1 1424/4885MAPT 3424/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 SYK 2823/4885ALDH1A1 2869/4885MAPT 4445/4885

“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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