SCHEMBL20875489

SCHEMBL20875489

CCOC(=O)c1cnc(SC)nc1NN(C(=O)OC(C)(C)C)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ SYK P43405 3/20 0.51
▸ 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 0.48
▸ HTT P42858 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ MAPKAPK2 P49137 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
SCHEMBL25031184 0.85 ALDH1A1 (0.57) ALDH1A1SYKMAPTFOSJUN
SCHEMBL20875506 0.85 SYK (0.52) ALDH1A1SYKMAPTFOSJUN
SCHEMBL20875448 0.84 SYK (0.57) ALDH1A1SYKMAPTFOSJUN
SCHEMBL30310734 0.83 ALDH1A1 (0.55) ALDH1A1SYKMAPTFOSJUN
SCHEMBL20875402 0.83 ALDH1A1 (0.55) ALDH1A1SYKMAPTFOSJUN
SCHEMBL20891948 0.82 ALDH1A1 (0.59) ALDH1A1SYKMAPTFOSJUN
SCHEMBL25904913 0.82 SYK (0.55) ALDH1A1SYKMAPTFOSJUN
SCHEMBL23126623 0.80 SYK (0.52) ALDH1A1SYKMAPTFOSJUN
SCHEMBL20658731 0.80 ALDH1A1 (0.62) ALDH1A1SYKMAPTFOSJUN
SCHEMBL23126549 0.80 SYK (0.52) ALDH1A1SYKMAPTFOSJUN

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
WO-2023217201-A2 NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF 杭州德睿智药科技有限公司 2023-11-16 — — WO disclosed
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC (US) 2023-04-06 — — US disclosed
US-11479555-B2 Substituted 1,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-ones as inhibitors of WEE-1 kinase NEWAVE PHARMACEUTICAL INC. (US) 2022-10-25 — — US disclosed
US-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-07-14 — — US disclosed
US-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-07-14 — — US disclosed
US-11299493-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2022-04-12 — — US disclosed
EP-3952875-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2022-02-16 — — EP 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
WO-2020210380-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 — — WO disclosed
EP-3694861-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2020-08-19 — — EP 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-11299493-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, NME1 ALDH1A1 2869/4885SYK 2823/4885MAPT 4445/4885
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 ALDH1A1 2869/4885SYK 2823/4885MAPT 4445/4885
US-20220220115-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 ALDH1A1 2869/4885SYK 2823/4885MAPT 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 ALDH1A1 1424/4885SYK 921/4885MAPT 3424/4885
US-11479555-B2 Substituted 1,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-ones as inhibitors of WEE-1 kinase WEE1, WEE2, PHKG1 ALDH1A1 1533/4885SYK 841/4885MAPT 3865/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 ALDH1A1 2869/4885SYK 2823/4885MAPT 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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